6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C22H25N5O — CID 109370893

IUPAC6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(C)(C)C)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-16-9-7-8-12-23-16)13-20(26-15)27-18-11-6-5-10-17(18)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyVPKSOIPYBRSJCH-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.15
Rot. Bonds5

About 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109370893) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109370893
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(C)(C)C)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-16-9-7-8-12-23-16)13-20(26-15)27-18-11-6-5-10-17(18)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyVPKSOIPYBRSJCH-UHFFFAOYSA-N
XLogP4.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370811
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109370893) is 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C(C)(C)C)cc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is VPKSOIPYBRSJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-16-9-7-8-12-23-16)13-20(26-15)27-18-11-6-5-10-17(18)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).