6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione

C8H8ClN5O2 — CID 139230292

IUPAC6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
InChIInChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeyIVAWDXNKZJRICP-UHFFFAOYSA-N
MW241.64 g/mol
LogP-0.46
Rot. Bonds2

About 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione

6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione (PubChem CID 139230292) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione
PubChem CID139230292
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl
InChIInChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeyIVAWDXNKZJRICP-UHFFFAOYSA-N
XLogP-0.46
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-6-[(2-aminoimidazol-1-yl)methyl]uracil
CID 44632008
6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-bromo-1H-pyrimidine-2,4-dione chloride
CID 10087523
5-Bromo-6-[(2-aminoimidazol-1-yl)methyl]uracil hydrochloride
CID 10087524
2-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium; chloride
CID 10105760
6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione chloride
CID 11000363
6-[(2-amino-1H-imidazol-3-ium-3-yl)methyl]-1H-pyrimidine-2,4-dione chloride
CID 11746845
2-Amino-1-(2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium; chloride
CID 11746846
5-fluoro-6-(imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
CID 46880481
6-[(2-nitroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10955570
5-Chloro-6-(4-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
CID 11219482
4-Amino-1-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-3H-imidazol-1-ium
CID 11482820
5-Chloro-6-(2-nitro-imidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione
CID 11022009

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione (CID 139230292) is 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione is Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1Cl.
What is the InChIKey of 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is IVAWDXNKZJRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16).
What are the key properties of 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione?
6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione has a molecular weight of 241.64 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoimidazol-1-yl)methyl]-5-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 139230292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).