6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine

C17H17ClN6 — CID 22539816

IUPAC6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H17ClN6/c1-2-24(13-6-4-3-5-7-13)17-15(19)16(21-11-22-17)23-14-9-8-12(18)10-20-14/h3-11H,2,19H2,1H3,(H,20,21,22,23)
InChIKeyZXQYOFIDEKMRDD-UHFFFAOYSA-N
MW340.82 g/mol
LogP4.01
Rot. Bonds5

About 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine

6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 22539816) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID22539816
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCCN(c1ccccc1)c1ncnc(Nc2ccc(Cl)cn2)c1N
InChIInChI=1S/C17H17ClN6/c1-2-24(13-6-4-3-5-7-13)17-15(19)16(21-11-22-17)23-14-9-8-12(18)10-20-14/h3-11H,2,19H2,1H3,(H,20,21,22,23)
InChIKeyZXQYOFIDEKMRDD-UHFFFAOYSA-N
XLogP4.01
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23477760
4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539751
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-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 22539816) is 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine is CCN(c1ccccc1)c1ncnc(Nc2ccc(Cl)cn2)c1N.
What is the InChIKey of 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is ZXQYOFIDEKMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-2-24(13-6-4-3-5-7-13)17-15(19)16(21-11-22-17)23-14-9-8-12(18)10-20-14/h3-11H,2,19H2,1H3,(H,20,21,22,23).
What are the key properties of 6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 340.82 g/mol, XLogP of 4.01, 5 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-ethyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).