N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide

C20H28N6O2 — CID 109253442

IUPACN-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H28N6O2/c1-25(2)9-5-8-21-19(27)16-14-22-20(23-15-16)24-17-6-3-4-7-18(17)26-10-12-28-13-11-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,21,27)(H,22,23,24)
InChIKeyYJCXCVJLYXZMEC-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.74
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide

N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109253442) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
PubChem CID109253442
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H28N6O2/c1-25(2)9-5-8-21-19(27)16-14-22-20(23-15-16)24-17-6-3-4-7-18(17)26-10-12-28-13-11-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,21,27)(H,22,23,24)
InChIKeyYJCXCVJLYXZMEC-UHFFFAOYSA-N
XLogP1.74
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109264608
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109180774
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide (CID 109253442) is N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is YJCXCVJLYXZMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-25(2)9-5-8-21-19(27)16-14-22-20(23-15-16)24-17-6-3-4-7-18(17)26-10-12-28-13-11-26/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,21,27)(H,22,23,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).