N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C16H21N5O — CID 109329638

IUPACN-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-11-9-13(14(22)21-16(2,3)4)20-15(19-11)18-10-12-7-5-6-8-17-12/h5-9H,10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyIGCCUBDBRPXEDN-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.32
Rot. Bonds4

About N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329638) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329638
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(NCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c1-11-9-13(14(22)21-16(2,3)4)20-15(19-11)18-10-12-7-5-6-8-17-12/h5-9H,10H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyIGCCUBDBRPXEDN-UHFFFAOYSA-N
XLogP2.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109329638) is N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc(NCc2ccccn2)n1.
What is the InChIKey of N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is IGCCUBDBRPXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-9-13(14(22)21-16(2,3)4)20-15(19-11)18-10-12-7-5-6-8-17-12/h5-9H,10H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).