N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide

C21H30N6O — CID 109332408

IUPACN,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C21H30N6O/c1-5-26(6-2)20(28)19-15-16(3)22-21(24-19)23-17-7-9-18(10-8-17)27-13-11-25(4)12-14-27/h7-10,15H,5-6,11-14H2,1-4H3,(H,22,23,24)
InChIKeyFIWRFRCSDHZFHD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.76
Rot. Bonds6

About N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide

N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109332408) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109332408
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C21H30N6O/c1-5-26(6-2)20(28)19-15-16(3)22-21(24-19)23-17-7-9-18(10-8-17)27-13-11-25(4)12-14-27/h7-10,15H,5-6,11-14H2,1-4H3,(H,22,23,24)
InChIKeyFIWRFRCSDHZFHD-UHFFFAOYSA-N
XLogP2.76
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.76
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-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429
2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332418
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
4-N-tert-butyl-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112924707
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
4-N,6-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112927535
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112913561

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide (CID 109332408) is N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1.
What is the InChIKey of N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is FIWRFRCSDHZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-5-26(6-2)20(28)19-15-16(3)22-21(24-19)23-17-7-9-18(10-8-17)27-13-11-25(4)12-14-27/h7-10,15H,5-6,11-14H2,1-4H3,(H,22,23,24).
What are the key properties of N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109332408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).