4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine

C26H25N7 — CID 177306498

IUPAC4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc3ccccc3n2)ncn1
InChIInChI=1S/C26H25N7/c1-16-11-21-20(9-10-28-26(21)27)17(2)22(16)14-30-25-12-24(31-15-32-25)29-13-19-8-7-18-5-3-4-6-23(18)33-19/h3-12,15H,13-14H2,1-2H3,(H2,27,28)(H2,29,30,31,32)
InChIKeyLEEKIOAJGUWRBV-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.00
Rot. Bonds6

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

4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 177306498) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID177306498
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC Name4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc3ccccc3n2)ncn1
InChIInChI=1S/C26H25N7/c1-16-11-21-20(9-10-28-26(21)27)17(2)22(16)14-30-25-12-24(31-15-32-25)29-13-19-8-7-18-5-3-4-6-23(18)33-19/h3-12,15H,13-14H2,1-2H3,(H2,27,28)(H2,29,30,31,32)
InChIKeyLEEKIOAJGUWRBV-UHFFFAOYSA-N
XLogP5.00
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-3-ylmethyl)pyrimidine-4,6-diamine
CID 171090226
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-(quinolin-6-ylmethoxy)pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171089657
1-[[4-[[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyridin-2-one
CID 171090161
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
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
5,7-dimethyl-6-[[[6-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]amino]methyl]isoquinolin-1-amine
CID 171090396
ethane;ethyl N-[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]carbamate
CID 171090590
[4-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]-7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanol
CID 177306549
1-[[4-[[6-[(1-amino-5,7-dimethylisoquinolin-6-yl)methylamino]pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-cyclopropylpyridin-2-one
CID 171090684
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine (CID 177306498) is 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(NCc2ccc3ccccc3n2)ncn1.
What is the InChIKey of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is LEEKIOAJGUWRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-16-11-21-20(9-10-28-26(21)27)17(2)22(16)14-30-25-12-24(31-15-32-25)29-13-19-8-7-18-5-3-4-6-23(18)33-19/h3-12,15H,13-14H2,1-2H3,(H2,27,28)(H2,29,30,31,32).
What are the key properties of 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 435.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-amino-5,7-dimethylisoquinolin-6-yl)methyl]-6-N-(quinolin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 177306498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).