6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide

C20H26N6O — CID 109360922

IUPAC6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C20H26N6O/c1-14-21-18(13-19(22-14)23-15-3-4-15)20(27)24-16-5-7-17(8-6-16)26-11-9-25(2)10-12-26/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyKXPFVQJKEQNODT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.36
Rot. Bonds5

About 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide

6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109360922) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID109360922
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C20H26N6O/c1-14-21-18(13-19(22-14)23-15-3-4-15)20(27)24-16-5-7-17(8-6-16)26-11-9-25(2)10-12-26/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyKXPFVQJKEQNODT-UHFFFAOYSA-N
XLogP2.36
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
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

6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide (CID 109360922) is 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide is Cc1nc(NC2CC2)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is KXPFVQJKEQNODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-21-18(13-19(22-14)23-15-3-4-15)20(27)24-16-5-7-17(8-6-16)26-11-9-25(2)10-12-26/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,24,27)(H,21,22,23).
What are the key properties of 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).