2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine

C12H20N4 — CID 116795796

IUPAC2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCC1CCCCC1Nc1nccc(N)n1
InChIInChI=1S/C12H20N4/c1-2-9-5-3-4-6-10(9)15-12-14-8-7-11(13)16-12/h7-10H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUJGOHCYVJKCKNV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds3

About 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine

2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 116795796) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID116795796
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCC1CCCCC1Nc1nccc(N)n1
InChIInChI=1S/C12H20N4/c1-2-9-5-3-4-6-10(9)15-12-14-8-7-11(13)16-12/h7-10H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUJGOHCYVJKCKNV-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 116797194
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
CID 116795790
N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
CID 103204177
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
CID 112727442
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 80962087
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
2-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrimidine-2,4-diamine
CID 116795448
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
2-N-(2-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63402632

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine (CID 116795796) is 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine is CCC1CCCCC1Nc1nccc(N)n1.
What is the InChIKey of 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is UJGOHCYVJKCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-9-5-3-4-6-10(9)15-12-14-8-7-11(13)16-12/h7-10H,2-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine?
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).