(4-chloropyrimidin-2-yl)carbamic acid

C5H4ClN3O2 — CID 135282743

IUPAC(4-chloropyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nccc(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-3-1-2-7-4(8-3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9)
InChIKeyAJCLYEFUAKBSCI-UHFFFAOYSA-N
MW173.56 g/mol
LogP1.22
Rot. Bonds1

About (4-chloropyrimidin-2-yl)carbamic acid

(4-chloropyrimidin-2-yl)carbamic acid (PubChem CID 135282743) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is (4-chloropyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-chloropyrimidin-2-yl)carbamic acid
PubChem CID135282743
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name(4-chloropyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nccc(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-3-1-2-7-4(8-3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9)
InChIKeyAJCLYEFUAKBSCI-UHFFFAOYSA-N
XLogP1.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
5-amino-N-(4-chloropyrimidin-2-yl)pyridine-2-carboxamide
CID 114052185
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
CID 114052239
(E)-3-(4-chlorophenyl)-N-(4-chloropyrimidin-2-yl)prop-2-enamide
CID 114052558
2-amino-5-bromo-N-(4-chloropyrimidin-2-yl)pyridine-4-carboxamide
CID 114194072
(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide
CID 165375797
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
CID 118237983
N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114052324
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 114052575
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrimidin-2-yl)carbamic acid?
The IUPAC name of (4-chloropyrimidin-2-yl)carbamic acid (CID 135282743) is (4-chloropyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (4-chloropyrimidin-2-yl)carbamic acid?
The canonical SMILES for (4-chloropyrimidin-2-yl)carbamic acid is O=C(O)Nc1nccc(Cl)n1.
What is the InChIKey of (4-chloropyrimidin-2-yl)carbamic acid?
The InChIKey is AJCLYEFUAKBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-3-1-2-7-4(8-3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9).
What are the key properties of (4-chloropyrimidin-2-yl)carbamic acid?
(4-chloropyrimidin-2-yl)carbamic acid has a molecular weight of 173.56 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 135282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).