2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine

C13H22N4 — CID 54962936

IUPAC2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc(N)cn2)CC1
InChIInChI=1S/C13H22N4/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyLBMZXBDHMOCVFS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.83
Rot. Bonds4

About 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine

2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine (PubChem CID 54962936) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
PubChem CID54962936
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
SMILESCCCC1CCC(Nc2ncc(N)cn2)CC1
InChIInChI=1S/C13H22N4/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyLBMZXBDHMOCVFS-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 167021876
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
CID 55185791
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
CID 64740867
5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
CID 80808231
5-ethyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80807733
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine (CID 54962936) is 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine is CCCC1CCC(Nc2ncc(N)cn2)CC1.
What is the InChIKey of 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine?
The InChIKey is LBMZXBDHMOCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine?
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 54962936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).