cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone

C21H27N5O2 — CID 134799957

IUPACcyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(Nc2ccnc(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-28-18-8-6-17(7-9-18)23-19-10-11-22-21(24-19)26-14-12-25(13-15-26)20(27)16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,22,23,24)
InChIKeyJMTUBFMANOOVIN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds5

About cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 134799957) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID134799957
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Namecyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(Nc2ccnc(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-28-18-8-6-17(7-9-18)23-19-10-11-22-21(24-19)26-14-12-25(13-15-26)20(27)16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,22,23,24)
InChIKeyJMTUBFMANOOVIN-UHFFFAOYSA-N
XLogP3.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Way 100635
CID 5684
Fcway
CID 10048892
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
Mefway F-18
CID 11963740
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
[11C]Jway
CID 11834378
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 134799957) is cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is COc1ccc(Nc2ccnc(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1.
What is the InChIKey of cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is JMTUBFMANOOVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-18-8-6-17(7-9-18)23-19-10-11-22-21(24-19)26-14-12-25(13-15-26)20(27)16-4-2-3-5-16/h6-11,16H,2-5,12-15H2,1H3,(H,22,23,24).
What are the key properties of cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-(4-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134799957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).