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

C17H17ClN6 — CID 19138037

IUPAC4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN6/c18-13-6-7-14(21-10-13)24-17-15(19)16(22-11-23-17)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,19H2,(H2,20,21,22,23,24)
InChIKeySUWXZYYOYCKQGU-UHFFFAOYSA-N
MW340.82 g/mol
LogP3.51
Rot. Bonds6

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

4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19138037) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19138037
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2ccccc2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN6/c18-13-6-7-14(21-10-13)24-17-15(19)16(22-11-23-17)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,19H2,(H2,20,21,22,23,24)
InChIKeySUWXZYYOYCKQGU-UHFFFAOYSA-N
XLogP3.51
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540285
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
6-N-(5-chloro-2-pyridinyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544968
6-N-(5-chloro-2-pyridinyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539816
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 19138037) is 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2ccccc2)ncnc1Nc1ccc(Cl)cn1.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is SUWXZYYOYCKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c18-13-6-7-14(21-10-13)24-17-15(19)16(22-11-23-17)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,19H2,(H2,20,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 340.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19138037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).