N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

C10H12IN3O2 — CID 66307814

IUPACN-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCC1CC1
InChIInChI=1S/C10H12IN3O2/c11-8-4-12-6-14(10(8)16)5-9(15)13-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,13,15)
InChIKeyJNZMBKBTGGNIGT-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.37
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide

N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66307814) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66307814
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCC1CC1
InChIInChI=1S/C10H12IN3O2/c11-8-4-12-6-14(10(8)16)5-9(15)13-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,13,15)
InChIKeyJNZMBKBTGGNIGT-UHFFFAOYSA-N
XLogP0.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66307814) is N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is JNZMBKBTGGNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c11-8-4-12-6-14(10(8)16)5-9(15)13-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 333.13 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66307814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).