N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide

C11H18N4O — CID 61016997

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCc1nccc(CNC(=O)CNC(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)13-7-11(16)14-6-10-4-5-12-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3,(H,14,16)
InChIKeyNYYXJYUFPZPEKN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.40
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide

N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 61016997) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID61016997
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCc1nccc(CNC(=O)CNC(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)13-7-11(16)14-6-10-4-5-12-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3,(H,14,16)
InChIKeyNYYXJYUFPZPEKN-UHFFFAOYSA-N
XLogP0.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
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
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 64678565
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 79474047
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 61016997) is N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide is Cc1nccc(CNC(=O)CNC(C)C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is NYYXJYUFPZPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)13-7-11(16)14-6-10-4-5-12-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 61016997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).