6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine

C16H28ClN3 — CID 79491060

IUPAC6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC
InChIInChI=1S/C16H28ClN3/c1-6-9-14-15(17)18-11-19-16(14)20(10-12(4)5)13(7-2)8-3/h11-13H,6-10H2,1-5H3
InChIKeyXJXIRCWACFPDRA-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.73
Rot. Bonds8

About 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine

6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine (PubChem CID 79491060) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
PubChem CID79491060
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC
InChIInChI=1S/C16H28ClN3/c1-6-9-14-15(17)18-11-19-16(14)20(10-12(4)5)13(7-2)8-3/h11-13H,6-10H2,1-5H3
InChIKeyXJXIRCWACFPDRA-UHFFFAOYSA-N
XLogP4.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
6-chloro-N-(1-cyclopropylethyl)-N-methyl-5-propylpyrimidin-4-amine
CID 55230256
6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
2-[(6-chloro-5-propylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 63735069
4-chloro-6-(3-methylbutoxy)-5-propylpyrimidine
CID 63733980
6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837463
5-bromo-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 79491057
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63728666
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine (CID 79491060) is 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(CC(C)C)C(CC)CC.
What is the InChIKey of 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine?
The InChIKey is XJXIRCWACFPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-6-9-14-15(17)18-11-19-16(14)20(10-12(4)5)13(7-2)8-3/h11-13H,6-10H2,1-5H3.
What are the key properties of 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine?
6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine has a molecular weight of 297.87 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 79491060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).