N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

C18H24N4O2 — CID 112853130

IUPACN-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)22-17(23)14-12-15(19-10-11-24-4)21-16(20-14)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyRJOOJNASAZROHC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.73
Rot. Bonds6

About N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853130) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853130
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)22-17(23)14-12-15(19-10-11-24-4)21-16(20-14)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyRJOOJNASAZROHC-UHFFFAOYSA-N
XLogP2.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.73
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

N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-tert-butyl-6-[(2-fluorophenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112854017
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853130) is N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RJOOJNASAZROHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)22-17(23)14-12-15(19-10-11-24-4)21-16(20-14)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).