N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide

C12H20N4O — CID 54901886

IUPACN-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCc1ccnc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9(2)15-12(17)8-13-7-11-5-6-14-10(3)16-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyFAXKYDIBADCHMX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.79
Rot. Bonds6

About N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide

N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide (PubChem CID 54901886) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
PubChem CID54901886
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCc1ccnc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-9(2)15-12(17)8-13-7-11-5-6-14-10(3)16-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyFAXKYDIBADCHMX-UHFFFAOYSA-N
XLogP0.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 114180427
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
1-[(2-methylpyrimidin-4-yl)methyl]-3-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 96518467

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide (CID 54901886) is N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide is CCC(C)NC(=O)CNCc1ccnc(C)n1.
What is the InChIKey of N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
The InChIKey is FAXKYDIBADCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-9(2)15-12(17)8-13-7-11-5-6-14-10(3)16-11/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide?
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 54901886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).