4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine

C12H20N4 — CID 141374966

IUPAC4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCCCC2)c1C
InChIInChI=1S/C12H20N4/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyUUCMYPQOEOVRGH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.42
Rot. Bonds2

About 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine

4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 141374966) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID141374966
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NC2CCCCC2)c1C
InChIInChI=1S/C12H20N4/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyUUCMYPQOEOVRGH-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
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

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine (CID 141374966) is 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine is Cc1nc(N)nc(NC2CCCCC2)c1C.
What is the InChIKey of 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is UUCMYPQOEOVRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-9(2)14-12(13)16-11(8)15-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 141374966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).