6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

C20H26N6O — CID 109345059

IUPAC6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ncn2)CC1
InChIInChI=1S/C20H26N6O/c1-24-10-12-26(13-11-24)19-14-18(21-15-22-19)20(27)23-16-4-6-17(7-5-16)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,27)
InChIKeyKLHSOTDAZDQXCW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.08
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109345059) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109345059
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ncn2)CC1
InChIInChI=1S/C20H26N6O/c1-24-10-12-26(13-11-24)19-14-18(21-15-22-19)20(27)23-16-4-6-17(7-5-16)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,27)
InChIKeyKLHSOTDAZDQXCW-UHFFFAOYSA-N
XLogP2.08
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345048
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109345059) is 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ncn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KLHSOTDAZDQXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24-10-12-26(13-11-24)19-14-18(21-15-22-19)20(27)23-16-4-6-17(7-5-16)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,27).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).