6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C13H22N4O — CID 109340453

IUPAC6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-9(2)7-14-12(18)10-6-11(16-8-15-10)17-13(3,4)5/h6,8-9H,7H2,1-5H3,(H,14,18)(H,15,16,17)
InChIKeyLCTNXYMSRNPNPG-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds4

About 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109340453) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109340453
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-9(2)7-14-12(18)10-6-11(16-8-15-10)17-13(3,4)5/h6,8-9H,7H2,1-5H3,(H,14,18)(H,15,16,17)
InChIKeyLCTNXYMSRNPNPG-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353389
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
6-(tert-butylamino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109353739
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109340453) is 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is CC(C)CNC(=O)c1cc(NC(C)(C)C)ncn1.
What is the InChIKey of 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is LCTNXYMSRNPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)7-14-12(18)10-6-11(16-8-15-10)17-13(3,4)5/h6,8-9H,7H2,1-5H3,(H,14,18)(H,15,16,17).
What are the key properties of 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).