N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide

C16H20N4O3 — CID 109246802

IUPACN-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(OC)ccc2OC)cn1
InChIInChI=1S/C16H20N4O3/c1-4-7-17-16-18-9-11(10-19-16)15(21)20-13-8-12(22-2)5-6-14(13)23-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeySZFVYFOQSYQBTB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide (PubChem CID 109246802) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
PubChem CID109246802
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2cc(OC)ccc2OC)cn1
InChIInChI=1S/C16H20N4O3/c1-4-7-17-16-18-9-11(10-19-16)15(21)20-13-8-12(22-2)5-6-14(13)23-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeySZFVYFOQSYQBTB-UHFFFAOYSA-N
XLogP2.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
2-[3-(dimethylamino)propylamino]-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109253589
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266003
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158252
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide (CID 109246802) is N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide is CCCNc1ncc(C(=O)Nc2cc(OC)ccc2OC)cn1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
The InChIKey is SZFVYFOQSYQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-7-17-16-18-9-11(10-19-16)15(21)20-13-8-12(22-2)5-6-14(13)23-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).