[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C24H28N6O — CID 122333095

IUPAC[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-19-18-22(28-12-4-5-13-28)26-24(25-19)30-16-14-29(15-17-30)23(31)20-6-8-21(9-7-20)27-10-2-3-11-27/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyDPAYVNISAJASFC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.14
Rot. Bonds4

About [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 122333095) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID122333095
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-19-18-22(28-12-4-5-13-28)26-24(25-19)30-16-14-29(15-17-30)23(31)20-6-8-21(9-7-20)27-10-2-3-11-27/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyDPAYVNISAJASFC-UHFFFAOYSA-N
XLogP3.14
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047613
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122339806
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 27477571
(3,5-dimethylphenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 18566524
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122348444
[3-(dimethylamino)phenyl]-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339501
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
(2,6-difluorophenyl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 27477480
(2-methylphenyl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047604
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 122333095) is [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n1.
What is the InChIKey of [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is DPAYVNISAJASFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-19-18-22(28-12-4-5-13-28)26-24(25-19)30-16-14-29(15-17-30)23(31)20-6-8-21(9-7-20)27-10-2-3-11-27/h2-3,6-11,18H,4-5,12-17H2,1H3.
What are the key properties of [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 416.53 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 122333095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).