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

C20H28N6O2 — CID 109323814

IUPACN-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C20H28N6O2/c1-15-14-18(19(27)21-8-13-28-3)24-20(22-15)23-16-4-6-17(7-5-16)26-11-9-25(2)10-12-26/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24)
InChIKeyUJKQBPQIIRAMGX-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.66
Rot. Bonds7

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

N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109323814) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109323814
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C20H28N6O2/c1-15-14-18(19(27)21-8-13-28-3)24-20(22-15)23-16-4-6-17(7-5-16)26-11-9-25(2)10-12-26/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24)
InChIKeyUJKQBPQIIRAMGX-UHFFFAOYSA-N
XLogP1.66
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109332408
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109364946
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide (CID 109323814) is N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide is COCCNC(=O)c1cc(C)nc(Nc2ccc(N3CCN(C)CC3)cc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is UJKQBPQIIRAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-14-18(19(27)21-8-13-28-3)24-20(22-15)23-16-4-6-17(7-5-16)26-11-9-25(2)10-12-26/h4-7,14H,8-13H2,1-3H3,(H,21,27)(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109323814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).