(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide

C12H20N4O — CID 61148025

IUPAC(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7-6-8(2)15-11(14-7)16-10(17)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,14,15,16,17)/t9-/m1/s1
InChIKeyAWCCQIURMKZYBT-SECBINFHSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds2

About (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide (PubChem CID 61148025) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
PubChem CID61148025
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C12H20N4O/c1-7-6-8(2)15-11(14-7)16-10(17)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,14,15,16,17)/t9-/m1/s1
InChIKeyAWCCQIURMKZYBT-SECBINFHSA-N
XLogP1.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 61148022
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537652
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-amino-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
CID 76892574
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
CID 62728825
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
CID 70212263
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide (CID 61148025) is (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide is Cc1cc(C)nc(NC(=O)[C@@H](N)C(C)(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is AWCCQIURMKZYBT-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-6-8(2)15-11(14-7)16-10(17)9(13)12(3,4)5/h6,9H,13H2,1-5H3,(H,14,15,16,17)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 236.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61148025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).