6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

C17H25ClN6 — CID 19140961

IUPAC6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H25ClN6/c1-11(2)8-24(9-12(3)4)17-15(19)16(21-10-22-17)23-14-6-5-13(18)7-20-14/h5-7,10-12H,8-9,19H2,1-4H3,(H,20,21,22,23)
InChIKeyMJFFUDUGIXVDSS-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.97
Rot. Bonds7

About 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19140961) has the molecular formula C17H25ClN6 and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19140961
Molecular FormulaC17H25ClN6
Molecular Weight348.88 g/mol
Exact Mass348.18
IUPAC Name6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H25ClN6/c1-11(2)8-24(9-12(3)4)17-15(19)16(21-10-22-17)23-14-6-5-13(18)7-20-14/h5-7,10-12H,8-9,19H2,1-4H3,(H,20,21,22,23)
InChIKeyMJFFUDUGIXVDSS-UHFFFAOYSA-N
XLogP3.97
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539816
6-N-(2-chloro-3-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141069
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138037
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
4-N-(5-chloro-2-pyridinyl)-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19147083

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (CID 19140961) is 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is MJFFUDUGIXVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6/c1-11(2)8-24(9-12(3)4)17-15(19)16(21-10-22-17)23-14-6-5-13(18)7-20-14/h5-7,10-12H,8-9,19H2,1-4H3,(H,20,21,22,23).
What are the key properties of 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 348.88 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19140961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).