1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide

C10H14IN5O2 — CID 136978451

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN5O2/c1-12-9(17)6-4-13-2-3-16(6)8-7(11)10(18)15-5-14-8/h5-6,13H,2-4H2,1H3,(H,12,17)(H,14,15,18)
InChIKeyCCPGHNDCIXKHCH-UHFFFAOYSA-N
MW363.16 g/mol
LogP-1.10
Rot. Bonds2

About 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide (PubChem CID 136978451) has the molecular formula C10H14IN5O2 and a molecular weight of 363.16 g/mol. Its IUPAC name is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
PubChem CID136978451
Molecular FormulaC10H14IN5O2
Molecular Weight363.16 g/mol
Exact Mass363.02
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN5O2/c1-12-9(17)6-4-13-2-3-16(6)8-7(11)10(18)15-5-14-8/h5-6,13H,2-4H2,1H3,(H,12,17)(H,14,15,18)
InChIKeyCCPGHNDCIXKHCH-UHFFFAOYSA-N
XLogP-1.10
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978434
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
CID 136978469
5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136957743
1-(3-bromo-5-chloro-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114836327
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136989399
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758195
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114770105
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137010515
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971343

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide (CID 136978451) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide?
The InChIKey is CCPGHNDCIXKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5O2/c1-12-9(17)6-4-13-2-3-16(6)8-7(11)10(18)15-5-14-8/h5-6,13H,2-4H2,1H3,(H,12,17)(H,14,15,18).
What are the key properties of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide has a molecular weight of 363.16 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 136978451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).