4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine

C12H22N4 — CID 154187063

IUPAC4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine
SMILESCC1=C(C)C(N)(C2CCCCC2)N=C(N)N1
InChIInChI=1S/C12H22N4/c1-8-9(2)15-11(13)16-12(8,14)10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H3,13,15,16)
InChIKeySQARENNANDIAKI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.43
Rot. Bonds1

About 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine

4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine (PubChem CID 154187063) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine
PubChem CID154187063
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine
SMILESCC1=C(C)C(N)(C2CCCCC2)N=C(N)N1
InChIInChI=1S/C12H22N4/c1-8-9(2)15-11(13)16-12(8,14)10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H3,13,15,16)
InChIKeySQARENNANDIAKI-UHFFFAOYSA-N
XLogP1.43
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexyl-2-N-fluoro-5-(trifluoromethyl)-1H-pyrimidine-2,4,4-triamine
CID 175749545
4,4-dimethyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinimine
CID 12265196
(7R)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 21793391
(7S)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 341001
3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine
CID 138509882
4-Pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154226338
4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 154271660
4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine;dihydrochloride
CID 157731865
4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 3405601

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine (CID 154187063) is 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine is CC1=C(C)C(N)(C2CCCCC2)N=C(N)N1.
What is the InChIKey of 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine?
The InChIKey is SQARENNANDIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-9(2)15-11(13)16-12(8,14)10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H3,13,15,16).
What are the key properties of 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine?
4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154187063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).