3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide

C13H22N4O — CID 65269676

IUPAC3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide
SMILESCc1nccc(CNC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C13H22N4O/c1-9-15-7-6-10(17-9)8-16-11(18)12(2,3)13(4,5)14/h6-7H,8,14H2,1-5H3,(H,16,18)
InChIKeyIIBMPPAZLYRJAQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide

3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide (PubChem CID 65269676) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide
PubChem CID65269676
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide
SMILESCc1nccc(CNC(=O)C(C)(C)C(C)(C)N)n1
InChIInChI=1S/C13H22N4O/c1-9-15-7-6-10(17-9)8-16-11(18)12(2,3)13(4,5)14/h6-7H,8,14H2,1-5H3,(H,16,18)
InChIKeyIIBMPPAZLYRJAQ-UHFFFAOYSA-N
XLogP1.16
TPSA80.90 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 82821483
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobut-2-enoic acid
CID 76993148
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 79474047
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide (CID 65269676) is 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide is Cc1nccc(CNC(=O)C(C)(C)C(C)(C)N)n1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide?
The InChIKey is IIBMPPAZLYRJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-7-6-10(17-9)8-16-11(18)12(2,3)13(4,5)14/h6-7H,8,14H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide?
3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide is sourced from PubChem (CID 65269676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).