2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

C19H29N5O — CID 75506279

IUPAC2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cc(N2CCN(C(=O)C(C3CC3)N3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C19H29N5O/c1-14-13-17(21-15(2)20-14)22-9-11-24(12-10-22)19(25)18(16-5-6-16)23-7-3-4-8-23/h13,16,18H,3-12H2,1-2H3
InChIKeySQSTWTRDBOWYSQ-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.62
Rot. Bonds4

About 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 75506279) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID75506279
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cc(N2CCN(C(=O)C(C3CC3)N3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C19H29N5O/c1-14-13-17(21-15(2)20-14)22-9-11-24(12-10-22)19(25)18(16-5-6-16)23-7-3-4-8-23/h13,16,18H,3-12H2,1-2H3
InChIKeySQSTWTRDBOWYSQ-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 86868244
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638
2-ethyl-1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 70702951
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
2-methyl-1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122342201
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
cyclobutyl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342403

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (CID 75506279) is 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is Cc1cc(N2CCN(C(=O)C(C3CC3)N3CCCC3)CC2)nc(C)n1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is SQSTWTRDBOWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14-13-17(21-15(2)20-14)22-9-11-24(12-10-22)19(25)18(16-5-6-16)23-7-3-4-8-23/h13,16,18H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 343.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 75506279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).