N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine

C18H32N4 — CID 10756932

IUPACN-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCCCN(CCC)CCC1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C18H32N4/c1-3-13-22(14-4-2)15-10-16-6-8-17(9-7-16)21-18-19-11-5-12-20-18/h5,11-12,16-17H,3-4,6-10,13-15H2,1-2H3,(H,19,20,21)
InChIKeyQOGRQXGQKOEKKF-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.96
Rot. Bonds9

About N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10756932) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10756932
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCCCN(CCC)CCC1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C18H32N4/c1-3-13-22(14-4-2)15-10-16-6-8-17(9-7-16)21-18-19-11-5-12-20-18/h5,11-12,16-17H,3-4,6-10,13-15H2,1-2H3,(H,19,20,21)
InChIKeyQOGRQXGQKOEKKF-UHFFFAOYSA-N
XLogP3.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptylpyrimidin-2-amine
CID 868191
N-cyclohexylpyrimidin-2-amine
CID 21252719
Adamantan-2-yl-pyrimidin-2-yl-amine
CID 654626
Pyrimidin-2-yl-{4-[2-(4-pyrimidin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amine
CID 10570997
N-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
CID 10785202
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162669973
Pyrimidine, 2-n-heptylamino-
CID 23423797
N-octylpyrimidin-2-amine
CID 21658403
4-N-(3-aminopentyl)pyrimidine-2,4-diamine
CID 49856818
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine (CID 10756932) is N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine is CCCN(CCC)CCC1CCC(Nc2ncccn2)CC1.
What is the InChIKey of N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is QOGRQXGQKOEKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-13-22(14-4-2)15-10-16-6-8-17(9-7-16)21-18-19-11-5-12-20-18/h5,11-12,16-17H,3-4,6-10,13-15H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 304.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dipropylamino)ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10756932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).