2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine

C25H31N5 — CID 53484185

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
SMILESc1ccc2c(CNc3ccnc(N4CCN(C5CCCCC5)CC4)n3)cccc2c1
InChIInChI=1S/C25H31N5/c1-2-10-22(11-3-1)29-15-17-30(18-16-29)25-26-14-13-24(28-25)27-19-21-9-6-8-20-7-4-5-12-23(20)21/h4-9,12-14,22H,1-3,10-11,15-19H2,(H,26,27,28)
InChIKeyDPVZNLKVPWECGM-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.70
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine

2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine (PubChem CID 53484185) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
PubChem CID53484185
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
SMILESc1ccc2c(CNc3ccnc(N4CCN(C5CCCCC5)CC4)n3)cccc2c1
InChIInChI=1S/C25H31N5/c1-2-10-22(11-3-1)29-15-17-30(18-16-29)25-26-14-13-24(28-25)27-19-21-9-6-8-20-7-4-5-12-23(20)21/h4-9,12-14,22H,1-3,10-11,15-19H2,(H,26,27,28)
InChIKeyDPVZNLKVPWECGM-UHFFFAOYSA-N
XLogP4.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpyrimidin-4-amine
CID 50950844
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine (CID 53484185) is 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine is c1ccc2c(CNc3ccnc(N4CCN(C5CCCCC5)CC4)n3)cccc2c1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
The InChIKey is DPVZNLKVPWECGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-2-10-22(11-3-1)29-15-17-30(18-16-29)25-26-14-13-24(28-25)27-19-21-9-6-8-20-7-4-5-12-23(20)21/h4-9,12-14,22H,1-3,10-11,15-19H2,(H,26,27,28).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine?
2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine has a molecular weight of 401.56 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 53484185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).