4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine

C27H28N8 — CID 171089623

IUPAC4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2cc3cc(C4CC4)ccn3n2)ncn1
InChIInChI=1S/C27H28N8/c1-16-9-23-22(5-7-29-27(23)28)17(2)24(16)14-31-26-12-25(32-15-33-26)30-13-20-11-21-10-19(18-3-4-18)6-8-35(21)34-20/h5-12,15,18H,3-4,13-14H2,1-2H3,(H2,28,29)(H2,30,31,32,33)
InChIKeyONRXFIZQOOSXBY-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.97
Rot. Bonds7

About 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine

4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 171089623) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID171089623
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC Name4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2cc3cc(C4CC4)ccn3n2)ncn1
InChIInChI=1S/C27H28N8/c1-16-9-23-22(5-7-29-27(23)28)17(2)24(16)14-31-26-12-25(32-15-33-26)30-13-20-11-21-10-19(18-3-4-18)6-8-35(21)34-20/h5-12,15,18H,3-4,13-14H2,1-2H3,(H2,28,29)(H2,30,31,32,33)
InChIKeyONRXFIZQOOSXBY-UHFFFAOYSA-N
XLogP4.97
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 171090541
6-[[[6-[(5-cyclopropyl-1-benzothiophen-2-yl)methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
CID 171090050
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
CID 177306498
3-[2-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]-5-cyclopropylpyrazolo[1,5-a]pyridin-7-yl]-2,2-dimethylpropanoic acid
CID 171090507
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-3-ylmethyl)pyrimidine-4,6-diamine
CID 171090226
1-[[4-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-cyclopropylpyridin-2-one
CID 171090684
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 171090161
6-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-4-N-(1,3-benzothiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 171090245
5,7-dimethyl-6-[[[6-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171090396
6-[[[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
CID 171090137
5,7-dimethyl-6-[[[6-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171089657
N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-1-[(7-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 171089667

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine (CID 171089623) is 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2cc3cc(C4CC4)ccn3n2)ncn1.
What is the InChIKey of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ONRXFIZQOOSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-16-9-23-22(5-7-29-27(23)28)17(2)24(16)14-31-26-12-25(32-15-33-26)30-13-20-11-21-10-19(18-3-4-18)6-8-35(21)34-20/h5-12,15,18H,3-4,13-14H2,1-2H3,(H2,28,29)(H2,30,31,32,33).
What are the key properties of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine?
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 464.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171089623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).