6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109344009

IUPAC6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCC3CCCO3)ncn2)cc1
InChIInChI=1S/C20H27N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)24-19-12-18(22-14-23-19)20(26)21-13-17-6-5-11-27-17/h7-10,12,14,17H,3-6,11,13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGRJQIGBSFYDGAH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.98
Rot. Bonds8

About 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109344009) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109344009
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCC3CCCO3)ncn2)cc1
InChIInChI=1S/C20H27N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)24-19-12-18(22-14-23-19)20(26)21-13-17-6-5-11-27-17/h7-10,12,14,17H,3-6,11,13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGRJQIGBSFYDGAH-UHFFFAOYSA-N
XLogP2.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-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

N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083227
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343981
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343942
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
N-(oxolan-2-ylmethyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109343992

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109344009) is 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)NCC3CCCO3)ncn2)cc1.
What is the InChIKey of 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is GRJQIGBSFYDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-25(4-2)16-9-7-15(8-10-16)24-19-12-18(22-14-23-19)20(26)21-13-17-6-5-11-27-17/h7-10,12,14,17H,3-6,11,13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).