6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

C16H26ClN3 — CID 80970575

IUPAC6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H26ClN3/c1-10(2)15-18-14(17)12(4)16(19-15)20(5)13-8-6-7-11(3)9-13/h10-11,13H,6-9H2,1-5H3
InChIKeyAJCIBGHWMSLBNS-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.58
Rot. Bonds3

About 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80970575) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80970575
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1N(C)C1CCCC(C)C1
InChIInChI=1S/C16H26ClN3/c1-10(2)15-18-14(17)12(4)16(19-15)20(5)13-8-6-7-11(3)9-13/h10-11,13H,6-9H2,1-5H3
InChIKeyAJCIBGHWMSLBNS-UHFFFAOYSA-N
XLogP4.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (CID 80970575) is 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1N(C)C1CCCC(C)C1.
What is the InChIKey of 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is AJCIBGHWMSLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-10(2)15-18-14(17)12(4)16(19-15)20(5)13-8-6-7-11(3)9-13/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).