N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide

C20H29N5O — CID 112853731

IUPACN-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H29N5O/c1-20(2,3)24-19(26)16-14-17(21-12-9-13-25(4)5)23-18(22-16)15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,24,26)(H,21,22,23)
InChIKeyQDBNAKQGHYAREY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.04
Rot. Bonds7

About N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853731) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853731
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H29N5O/c1-20(2,3)24-19(26)16-14-17(21-12-9-13-25(4)5)23-18(22-16)15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,24,26)(H,21,22,23)
InChIKeyQDBNAKQGHYAREY-UHFFFAOYSA-N
XLogP3.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide (CID 112853731) is N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide is CN(C)CCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is QDBNAKQGHYAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-20(2,3)24-19(26)16-14-17(21-12-9-13-25(4)5)23-18(22-16)15-10-7-6-8-11-15/h6-8,10-11,14H,9,12-13H2,1-5H3,(H,24,26)(H,21,22,23).
What are the key properties of N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).