2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide

C20H28N6O — CID 74246836

IUPAC2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
SMILESCC(CCNC(=O)c1cnc(Nc2ccccc2)nc1)N1CCN(C)CC1
InChIInChI=1S/C20H28N6O/c1-16(26-12-10-25(2)11-13-26)8-9-21-19(27)17-14-22-20(23-15-17)24-18-6-4-3-5-7-18/h3-7,14-16H,8-13H2,1-2H3,(H,21,27)(H,22,23,24)
InChIKeyNQSNCYFTNSGVHR-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.98
Rot. Bonds7

About 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide

2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide (PubChem CID 74246836) has the molecular formula C20H28N6O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
PubChem CID74246836
Molecular FormulaC20H28N6O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
SMILESCC(CCNC(=O)c1cnc(Nc2ccccc2)nc1)N1CCN(C)CC1
InChIInChI=1S/C20H28N6O/c1-16(26-12-10-25(2)11-13-26)8-9-21-19(27)17-14-22-20(23-15-17)24-18-6-4-3-5-7-18/h3-7,14-16H,8-13H2,1-2H3,(H,21,27)(H,22,23,24)
InChIKeyNQSNCYFTNSGVHR-UHFFFAOYSA-N
XLogP1.98
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
CID 125443479
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 126431535
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
2-anilino-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 72849015
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72913236
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 95872723
1-[3-(4-methylpiperazin-1-yl)butyl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 119066280
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide (CID 74246836) is 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide is CC(CCNC(=O)c1cnc(Nc2ccccc2)nc1)N1CCN(C)CC1.
What is the InChIKey of 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide?
The InChIKey is NQSNCYFTNSGVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-16(26-12-10-25(2)11-13-26)8-9-21-19(27)17-14-22-20(23-15-17)24-18-6-4-3-5-7-18/h3-7,14-16H,8-13H2,1-2H3,(H,21,27)(H,22,23,24).
What are the key properties of 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide?
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74246836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).