6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine

C15H19ClN4 — CID 82459378

IUPAC6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(Cl)c(N)c(NCCc2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-2-6-12-19-14(16)13(17)15(20-12)18-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,17H2,1H3,(H,18,19,20)
InChIKeyFUAIBYJRFHZQAZ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.32
Rot. Bonds6

About 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine

6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine (PubChem CID 82459378) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
PubChem CID82459378
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(Cl)c(N)c(NCCc2ccccc2)n1
InChIInChI=1S/C15H19ClN4/c1-2-6-12-19-14(16)13(17)15(20-12)18-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,17H2,1H3,(H,18,19,20)
InChIKeyFUAIBYJRFHZQAZ-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-6-chloro-2-propylpyrimidin-4-yl)-N-benzylthiohydroxylamine
CID 140811383
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
CID 82459184
4-N-(3-chloro-2-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22545331
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine (CID 82459378) is 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine is CCCc1nc(Cl)c(N)c(NCCc2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine?
The InChIKey is FUAIBYJRFHZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-6-12-19-14(16)13(17)15(20-12)18-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,17H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine?
6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine has a molecular weight of 290.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82459378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).