6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide

C23H27N5O — CID 109346609

IUPAC6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-4-28(5-2)19-11-12-20(17(3)13-19)27-23(29)21-14-22(26-16-25-21)24-15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyYTYRUCVWLNTWKC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds8

About 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide

6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (PubChem CID 109346609) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
PubChem CID109346609
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-4-28(5-2)19-11-12-20(17(3)13-19)27-23(29)21-14-22(26-16-25-21)24-15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyYTYRUCVWLNTWKC-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide (CID 109346609) is 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c(C)c1.
What is the InChIKey of 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
The InChIKey is YTYRUCVWLNTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-4-28(5-2)19-11-12-20(17(3)13-19)27-23(29)21-14-22(26-16-25-21)24-15-18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3,(H,27,29)(H,24,25,26).
What are the key properties of 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide?
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109346609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).