N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C23H27N5O — CID 109351580

IUPACN-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C23H27N5O/c1-23(2,3)18-7-5-6-8-19(18)27-22(29)20-15-21(26-16-25-20)28(4)14-11-17-9-12-24-13-10-17/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,27,29)
InChIKeyDSDSOOHKKXONDJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.10
Rot. Bonds6

About N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109351580) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109351580
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1
InChIInChI=1S/C23H27N5O/c1-23(2,3)18-7-5-6-8-19(18)27-22(29)20-15-21(26-16-25-20)28(4)14-11-17-9-12-24-13-10-17/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,27,29)
InChIKeyDSDSOOHKKXONDJ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
methyl 3-[[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109351611
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109372303
N-(2-methoxyphenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372292
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109351580) is N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccncc1)c1cc(C(=O)Nc2ccccc2C(C)(C)C)ncn1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is DSDSOOHKKXONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-23(2,3)18-7-5-6-8-19(18)27-22(29)20-15-21(26-16-25-20)28(4)14-11-17-9-12-24-13-10-17/h5-10,12-13,15-16H,11,14H2,1-4H3,(H,27,29).
What are the key properties of N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).