(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H23N5O — CID 82765088

IUPAC(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1N
InChIInChI=1S/C15H23N5O/c1-15(5-2-4-12(15)16)13(21)19-8-10-20(11-9-19)14-17-6-3-7-18-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3
InChIKeyFDMKVOCARZKBEJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.64
Rot. Bonds2

About (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 82765088) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID82765088
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1N
InChIInChI=1S/C15H23N5O/c1-15(5-2-4-12(15)16)13(21)19-8-10-20(11-9-19)14-17-6-3-7-18-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3
InChIKeyFDMKVOCARZKBEJ-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599657
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
(2-cyclobutyl-5-methyl-1,3-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53195306
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119827954
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 82765088) is (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC1(C(=O)N2CCN(c3ncccn3)CC2)CCCC1N.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FDMKVOCARZKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(5-2-4-12(15)16)13(21)19-8-10-20(11-9-19)14-17-6-3-7-18-14/h3,6-7,12H,2,4-5,8-11,16H2,1H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82765088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).