4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine

C15H26N4 — CID 80778398

IUPAC4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1CCCC(C)C1C
InChIInChI=1S/C15H26N4/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h9-11,13H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyQIGPWYCMLJEZKZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds4

About 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine

4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80778398) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80778398
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1CCCC(C)C1C
InChIInChI=1S/C15H26N4/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h9-11,13H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyQIGPWYCMLJEZKZ-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
4-N-(2,3-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80841005
4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
CID 114506446
6-hydrazinyl-N-(2-methylcyclohexyl)-5-propylpyrimidin-4-amine
CID 80944639
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
N-(2,3-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81000906
5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine (CID 80778398) is 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NC1CCCC(C)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is QIGPWYCMLJEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-6-12-14(16)17-9-18-15(12)19-13-8-5-7-10(2)11(13)3/h9-11,13H,4-8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclohexyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).