N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C19H25N5O4 — CID 109344509

IUPACN-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NCCN3CCOCC3)ncn2)c1
InChIInChI=1S/C19H25N5O4/c1-26-14-3-4-17(27-2)15(11-14)23-19(25)16-12-18(22-13-21-16)20-5-6-24-7-9-28-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyVVKGXGDZZYPNJO-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.49
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109344509) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109344509
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NCCN3CCOCC3)ncn2)c1
InChIInChI=1S/C19H25N5O4/c1-26-14-3-4-17(27-2)15(11-14)23-19(25)16-12-18(22-13-21-16)20-5-6-24-7-9-28-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyVVKGXGDZZYPNJO-UHFFFAOYSA-N
XLogP1.49
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109344521
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339549
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109344509) is N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(NCCN3CCOCC3)ncn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is VVKGXGDZZYPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-26-14-3-4-17(27-2)15(11-14)23-19(25)16-12-18(22-13-21-16)20-5-6-24-7-9-28-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).