2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

C16H27N5O3 — CID 71700298

IUPAC2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
SMILESCOCc1nc(N(C)C)ncc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H27N5O3/c1-20(2)16-18-11-13(14(19-16)12-23-3)15(22)17-5-4-6-21-7-9-24-10-8-21/h11H,4-10,12H2,1-3H3,(H,17,22)
InChIKeyBXAGSDQHNYQKOA-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.14
Rot. Bonds8

About 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide (PubChem CID 71700298) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
PubChem CID71700298
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
SMILESCOCc1nc(N(C)C)ncc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H27N5O3/c1-20(2)16-18-11-13(14(19-16)12-23-3)15(22)17-5-4-6-21-7-9-24-10-8-21/h11H,4-10,12H2,1-3H3,(H,17,22)
InChIKeyBXAGSDQHNYQKOA-UHFFFAOYSA-N
XLogP0.14
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
N-(3-morpholin-4-ylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949073
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26332215
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30150418
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide (CID 71700298) is 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide is COCc1nc(N(C)C)ncc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The InChIKey is BXAGSDQHNYQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-20(2)16-18-11-13(14(19-16)12-23-3)15(22)17-5-4-6-21-7-9-24-10-8-21/h11H,4-10,12H2,1-3H3,(H,17,22).
What are the key properties of 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 71700298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).