2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine

C17H28N4 — CID 46225979

IUPAC2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,21)
InChIKeyRHBUHSIAIPWSJH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.27
Rot. Bonds4

About 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine

2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine (PubChem CID 46225979) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
PubChem CID46225979
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,21)
InChIKeyRHBUHSIAIPWSJH-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-2,6-di(piperidin-1-yl)pyrimidine
CID 893737
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
CID 46225998
2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225999
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
2-N-(1-adamantylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46226014

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine (CID 46225979) is 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is RHBUHSIAIPWSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-12-16(19-14-8-4-2-5-9-14)21-17(18-13)20-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine?
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 288.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).