[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H23N5O2 — CID 109247542

IUPAC[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)nc3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-26-17-6-4-16(5-7-17)23-8-10-24(11-9-23)18(25)14-12-20-19(21-13-14)22-15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3,(H,20,21,22)
InChIKeyCGWBDTWQMRLSPC-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.02
Rot. Bonds5

About [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109247542) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109247542
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)nc3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-26-17-6-4-16(5-7-17)23-8-10-24(11-9-23)18(25)14-12-20-19(21-13-14)22-15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3,(H,20,21,22)
InChIKeyCGWBDTWQMRLSPC-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.02
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

[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[2-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109255106
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 3226941
1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254645
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 109247542) is [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)nc3)CC2)cc1.
What is the InChIKey of [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CGWBDTWQMRLSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-17-6-4-16(5-7-17)23-8-10-24(11-9-23)18(25)14-12-20-19(21-13-14)22-15-2-3-15/h4-7,12-13,15H,2-3,8-11H2,1H3,(H,20,21,22).
What are the key properties of [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109247542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).