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

C10H14N4O — CID 70422700

IUPACN-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide
SMILESC=CCc1ncc(CNC(C)=O)c(N)n1
InChIInChI=1S/C10H14N4O/c1-3-4-9-13-6-8(10(11)14-9)5-12-7(2)15/h3,6H,1,4-5H2,2H3,(H,12,15)(H2,11,13,14)
InChIKeyKVMMMUQZXOZQEU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.42
Rot. Bonds4

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

N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide (PubChem CID 70422700) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide
PubChem CID70422700
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide
SMILESC=CCc1ncc(CNC(C)=O)c(N)n1
InChIInChI=1S/C10H14N4O/c1-3-4-9-13-6-8(10(11)14-9)5-12-7(2)15/h3,6H,1,4-5H2,2H3,(H,12,15)(H2,11,13,14)
InChIKeyKVMMMUQZXOZQEU-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide?
The IUPAC name of N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide (CID 70422700) is N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide is C=CCc1ncc(CNC(C)=O)c(N)n1.
What is the InChIKey of N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide?
The InChIKey is KVMMMUQZXOZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-4-9-13-6-8(10(11)14-9)5-12-7(2)15/h3,6H,1,4-5H2,2H3,(H,12,15)(H2,11,13,14).
What are the key properties of N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide?
N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-prop-2-enylpyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 70422700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).