2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine

C15H25N3 — CID 63485968

IUPAC2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCC2)nc(C)c1C
InChIInChI=1S/C15H25N3/c1-4-10-16-14-11(2)12(3)17-15(18-14)13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyYXTGFVLYYHQJHZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.96
Rot. Bonds4

About 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine

2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 63485968) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID63485968
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCC2)nc(C)c1C
InChIInChI=1S/C15H25N3/c1-4-10-16-14-11(2)12(3)17-15(18-14)13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyYXTGFVLYYHQJHZ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
6-cyclobutyloxy-2-cyclopropyl-5-methyl-N-propylpyrimidin-4-amine
CID 80991023
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 63485968) is 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCCC2)nc(C)c1C.
What is the InChIKey of 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is YXTGFVLYYHQJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-10-16-14-11(2)12(3)17-15(18-14)13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).