6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C20H28N4O — CID 109355332

IUPAC6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)N(CC)c2cccc(C)c2)ncn1
InChIInChI=1S/C20H28N4O/c1-5-11-23(12-6-2)19-14-18(21-15-22-19)20(25)24(7-3)17-10-8-9-16(4)13-17/h8-10,13-15H,5-7,11-12H2,1-4H3
InChIKeyXUBXZHFPVWDQAG-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.08
Rot. Bonds8

About 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109355332) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109355332
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)N(CC)c2cccc(C)c2)ncn1
InChIInChI=1S/C20H28N4O/c1-5-11-23(12-6-2)19-14-18(21-15-22-19)20(25)24(7-3)17-10-8-9-16(4)13-17/h8-10,13-15H,5-7,11-12H2,1-4H3
InChIKeyXUBXZHFPVWDQAG-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
2-N-ethyl-2-N-(3-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090530
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351952
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
N-butyl-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109354737
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109355332) is 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)N(CC)c2cccc(C)c2)ncn1.
What is the InChIKey of 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is XUBXZHFPVWDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-23(12-6-2)19-14-18(21-15-22-19)20(25)24(7-3)17-10-8-9-16(4)13-17/h8-10,13-15H,5-7,11-12H2,1-4H3.
What are the key properties of 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).