2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C23H27N5O — CID 109307143

IUPAC2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C23H27N5O/c1-15(2)18-9-7-10-19(16(3)4)21(18)28-23-25-13-11-20(27-23)22(29)26-14-17-8-5-6-12-24-17/h5-13,15-16H,14H2,1-4H3,(H,26,29)(H,25,27,28)
InChIKeyQQNNRSDJSHGBFP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.79
Rot. Bonds7

About 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307143) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307143
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C23H27N5O/c1-15(2)18-9-7-10-19(16(3)4)21(18)28-23-25-13-11-20(27-23)22(29)26-14-17-8-5-6-12-24-17/h5-13,15-16H,14H2,1-4H3,(H,26,29)(H,25,27,28)
InChIKeyQQNNRSDJSHGBFP-UHFFFAOYSA-N
XLogP4.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307139
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307146
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307143) is 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is QQNNRSDJSHGBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)18-9-7-10-19(16(3)4)21(18)28-23-25-13-11-20(27-23)22(29)26-14-17-8-5-6-12-24-17/h5-13,15-16H,14H2,1-4H3,(H,26,29)(H,25,27,28).
What are the key properties of 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).