[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate

C13H19IN4O3 — CID 175053349

IUPAC[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
SMILESCn1c(N2CCC(C)(COC(N)=O)CC2)ncc(I)c1=O
InChIInChI=1S/C13H19IN4O3/c1-13(8-21-11(15)20)3-5-18(6-4-13)12-16-7-9(14)10(19)17(12)2/h7H,3-6,8H2,1-2H3,(H2,15,20)
InChIKeyRZMBRYRRJBEKRY-UHFFFAOYSA-N
MW406.22 g/mol
LogP1.09
Rot. Bonds3

About [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate

[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate (PubChem CID 175053349) has the molecular formula C13H19IN4O3 and a molecular weight of 406.22 g/mol. Its IUPAC name is [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
PubChem CID175053349
Molecular FormulaC13H19IN4O3
Molecular Weight406.22 g/mol
Exact Mass406.05
IUPAC Name[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate
SMILESCn1c(N2CCC(C)(COC(N)=O)CC2)ncc(I)c1=O
InChIInChI=1S/C13H19IN4O3/c1-13(8-21-11(15)20)3-5-18(6-4-13)12-16-7-9(14)10(19)17(12)2/h7H,3-6,8H2,1-2H3,(H2,15,20)
InChIKeyRZMBRYRRJBEKRY-UHFFFAOYSA-N
XLogP1.09
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The IUPAC name of [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate (CID 175053349) is [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate is Cn1c(N2CCC(C)(COC(N)=O)CC2)ncc(I)c1=O.
What is the InChIKey of [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
The InChIKey is RZMBRYRRJBEKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4O3/c1-13(8-21-11(15)20)3-5-18(6-4-13)12-16-7-9(14)10(19)17(12)2/h7H,3-6,8H2,1-2H3,(H2,15,20).
What are the key properties of [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate?
[1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate has a molecular weight of 406.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-iodo-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175053349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).