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

C11H18N4O — CID 61148022

IUPAC(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-6(2)9(12)10(16)15-11-13-7(3)5-8(4)14-11/h5-6,9H,12H2,1-4H3,(H,13,14,15,16)/t9-/m0/s1
InChIKeyTVVHQWOGAVYEGL-VIFPVBQESA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds3

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

(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide (PubChem CID 61148022) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
PubChem CID61148022
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-6(2)9(12)10(16)15-11-13-7(3)5-8(4)14-11/h5-6,9H,12H2,1-4H3,(H,13,14,15,16)/t9-/m0/s1
InChIKeyTVVHQWOGAVYEGL-VIFPVBQESA-N
XLogP1.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 61148025
3-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-methylpropanamide
CID 62728825
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
ethyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537652
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide (CID 61148022) is (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide is Cc1cc(C)nc(NC(=O)[C@@H](N)C(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
The InChIKey is TVVHQWOGAVYEGL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-6(2)9(12)10(16)15-11-13-7(3)5-8(4)14-11/h5-6,9H,12H2,1-4H3,(H,13,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide?
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.02, 3 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-methylbutanamide is sourced from PubChem (CID 61148022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).