N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C17H23N5O3 — CID 109344173

IUPACN-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-22(2)8-7-18-16-10-13(19-11-20-16)17(23)21-12-5-6-14(24-3)15(9-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,23)(H,18,19,20)
InChIKeyDZMGENDFLZVUQF-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.72
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109344173) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109344173
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-22(2)8-7-18-16-10-13(19-11-20-16)17(23)21-12-5-6-14(24-3)15(9-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,23)(H,18,19,20)
InChIKeyDZMGENDFLZVUQF-UHFFFAOYSA-N
XLogP1.72
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344178
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
6-(butylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109339977

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109344173) is N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NCCN(C)C)ncn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is DZMGENDFLZVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-22(2)8-7-18-16-10-13(19-11-20-16)17(23)21-12-5-6-14(24-3)15(9-12)25-4/h5-6,9-11H,7-8H2,1-4H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).