6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C23H27N5O — CID 112854178

IUPAC6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-23(2,3)27-20-16-19(25-21(26-20)18-8-6-5-7-9-18)22(29)28(4)15-12-17-10-13-24-14-11-17/h5-11,13-14,16H,12,15H2,1-4H3,(H,25,26,27)
InChIKeyREQNAPAAYVZDQV-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.06
Rot. Bonds6

About 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 112854178) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID112854178
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H27N5O/c1-23(2,3)27-20-16-19(25-21(26-20)18-8-6-5-7-9-18)22(29)28(4)15-12-17-10-13-24-14-11-17/h5-11,13-14,16H,12,15H2,1-4H3,(H,25,26,27)
InChIKeyREQNAPAAYVZDQV-UHFFFAOYSA-N
XLogP4.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854020
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
N-methyl-4-pyridin-4-yl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridine-2-carboxamide
CID 92607536

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 112854178) is 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CN(CCc1ccncc1)C(=O)c1cc(NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is REQNAPAAYVZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(2,3)27-20-16-19(25-21(26-20)18-8-6-5-7-9-18)22(29)28(4)15-12-17-10-13-24-14-11-17/h5-11,13-14,16H,12,15H2,1-4H3,(H,25,26,27).
What are the key properties of 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112854178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).