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

C22H25N5O — CID 109370894

IUPAC6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-18-7-5-6-12-23-18)13-20(26-15)27-17-10-8-16(9-11-17)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyCKYPEZZNWSLGCS-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.15
Rot. Bonds5

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

6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109370894) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109370894
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-18-7-5-6-12-23-18)13-20(26-15)27-17-10-8-16(9-11-17)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyCKYPEZZNWSLGCS-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-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109370894) is 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is CKYPEZZNWSLGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-25-19(21(28)24-14-18-7-5-6-12-23-18)13-20(26-15)27-17-10-8-16(9-11-17)22(2,3)4/h5-13H,14H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(4-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-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109370894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).