N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C19H23N5O3 — CID 109366985

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13-20-15(12-18(21-13)24-7-5-23(2)6-8-24)19(25)22-14-3-4-16-17(11-14)27-10-9-26-16/h3-4,11-12H,5-10H2,1-2H3,(H,22,25)
InChIKeyHBEMFLKHSBQSGV-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.56
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109366985) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109366985
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13-20-15(12-18(21-13)24-7-5-23(2)6-8-24)19(25)22-14-3-4-16-17(11-14)27-10-9-26-16/h3-4,11-12H,5-10H2,1-2H3,(H,22,25)
InChIKeyHBEMFLKHSBQSGV-UHFFFAOYSA-N
XLogP1.56
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
N-(3-fluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366981
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366970
N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366965
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748059
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849103
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360146
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849965
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109366985) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is HBEMFLKHSBQSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-20-15(12-18(21-13)24-7-5-23(2)6-8-24)19(25)22-14-3-4-16-17(11-14)27-10-9-26-16/h3-4,11-12H,5-10H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).