4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine

C20H27N7O — CID 160565595

IUPAC4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2cc3c(c(OCCCN4CCCC4)c2)CN=N3)n1
InChIInChI=1S/C20H27N7O/c1-14-10-19(21-2)25-20(23-14)24-15-11-17-16(13-22-26-17)18(12-15)28-9-5-8-27-6-3-4-7-27/h10-12H,3-9,13H2,1-2H3,(H2,21,23,24,25)
InChIKeyQZWMILURNNEBAM-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.03
Rot. Bonds8

About 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine

4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine (PubChem CID 160565595) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine
PubChem CID160565595
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2cc3c(c(OCCCN4CCCC4)c2)CN=N3)n1
InChIInChI=1S/C20H27N7O/c1-14-10-19(21-2)25-20(23-14)24-15-11-17-16(13-22-26-17)18(12-15)28-9-5-8-27-6-3-4-7-27/h10-12H,3-9,13H2,1-2H3,(H2,21,23,24,25)
InChIKeyQZWMILURNNEBAM-UHFFFAOYSA-N
XLogP4.03
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
1-[2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-4-pyrrolidin-1-ylbutan-1-one
CID 158680843
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
N-methyl-1-[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methanamine
CID 79150803
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine
CID 160644671
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
4-N-[(1-methylpiperidin-4-yl)methyl]-2-N-[7-(3-pyrrolidin-1-ylpropoxy)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 171608455
[2,6-dimethyl-4-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methanamine
CID 81050953
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
N-methyl-2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80962688

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine (CID 160565595) is 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2cc3c(c(OCCCN4CCCC4)c2)CN=N3)n1.
What is the InChIKey of 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine?
The InChIKey is QZWMILURNNEBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14-10-19(21-2)25-20(23-14)24-15-11-17-16(13-22-26-17)18(12-15)28-9-5-8-27-6-3-4-7-27/h10-12H,3-9,13H2,1-2H3,(H2,21,23,24,25).
What are the key properties of 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine?
4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine has a molecular weight of 381.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-2-N-[4-(3-pyrrolidin-1-ylpropoxy)-3H-indazol-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160565595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).