N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine

C20H27N5O — CID 112884384

IUPACN-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(c3ccnc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-26-18-8-6-17(7-9-18)24-12-14-25(15-13-24)19-10-11-21-20(23-19)22-16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,21,22,23)
InChIKeyZJQBEVWKGNYVLX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.17
Rot. Bonds5

About N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine

N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112884384) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112884384
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(c3ccnc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-26-18-8-6-17(7-9-18)24-12-14-25(15-13-24)19-10-11-21-20(23-19)22-16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,21,22,23)
InChIKeyZJQBEVWKGNYVLX-UHFFFAOYSA-N
XLogP3.17
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112901710
4-(azepan-1-yl)-N-[1-[(6-methoxynaphthalen-2-yl)methyl]azetidin-3-yl]pyrimidin-2-amine
CID 66904413
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112884384) is N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine is COc1ccc(N2CCN(c3ccnc(NC4CCCC4)n3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is ZJQBEVWKGNYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-26-18-8-6-17(7-9-18)24-12-14-25(15-13-24)19-10-11-21-20(23-19)22-16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,21,22,23).
What are the key properties of N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112884384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).