N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

C8H12N4O — CID 586434

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1N
InChIInChI=1S/C8H12N4O/c1-5-10-3-7(8(9)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeySXZFUSAWDLRCLQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.00
Rot. Bonds2

About N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide (PubChem CID 586434) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide
PubChem CID586434
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1N
InChIInChI=1S/C8H12N4O/c1-5-10-3-7(8(9)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeySXZFUSAWDLRCLQ-UHFFFAOYSA-N
XLogP0.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide (CID 586434) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide is CC(=O)NCc1cnc(C)nc1N.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide?
The InChIKey is SXZFUSAWDLRCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-10-3-7(8(9)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H2,9,10,12).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 586434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).