(2,4-dichloropyrimidin-5-yl)carbamic acid

C5H3Cl2N3O2 — CID 118393438

IUPAC(2,4-dichloropyrimidin-5-yl)carbamic acid
SMILESO=C(O)Nc1cnc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2N3O2/c6-3-2(9-5(11)12)1-8-4(7)10-3/h1,9H,(H,11,12)
InChIKeyCLRWADDPYFFTEQ-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.87
Rot. Bonds1

About (2,4-dichloropyrimidin-5-yl)carbamic acid

(2,4-dichloropyrimidin-5-yl)carbamic acid (PubChem CID 118393438) has the molecular formula C5H3Cl2N3O2 and a molecular weight of 208.00 g/mol. Its IUPAC name is (2,4-dichloropyrimidin-5-yl)carbamic acid.

Molecular Properties

Compound Name(2,4-dichloropyrimidin-5-yl)carbamic acid
PubChem CID118393438
Molecular FormulaC5H3Cl2N3O2
Molecular Weight208.00 g/mol
Exact Mass206.96
IUPAC Name(2,4-dichloropyrimidin-5-yl)carbamic acid
SMILESO=C(O)Nc1cnc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2N3O2/c6-3-2(9-5(11)12)1-8-4(7)10-3/h1,9H,(H,11,12)
InChIKeyCLRWADDPYFFTEQ-UHFFFAOYSA-N
XLogP1.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2,4-dichloropyrimidin-5-yl)benzamide
CID 169100604
(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
CID 123964903
[2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]carbamic acid
CID 90330798
(6-chloro-4-cyano-5-fluoro-3-pyridinyl)carbamic acid
CID 170358649
phenyl 2-[[(2,4-dichloropyrimidin-5-yl)amino]methylamino]acetate
CID 168876087
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
[6-chloro-5-fluoro-4-(methylcarbamoyl)-3-pyridinyl]carbamic acid
CID 174162579
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
[5,6-dichloro-4-(2,6-difluorobenzoyl)-3-pyridinyl]carbamic acid
CID 175875300
4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,3-oxazole-2-carboxamide
CID 10193046
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723
[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87589525

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloropyrimidin-5-yl)carbamic acid?
The IUPAC name of (2,4-dichloropyrimidin-5-yl)carbamic acid (CID 118393438) is (2,4-dichloropyrimidin-5-yl)carbamic acid.
What is the SMILES notation for (2,4-dichloropyrimidin-5-yl)carbamic acid?
The canonical SMILES for (2,4-dichloropyrimidin-5-yl)carbamic acid is O=C(O)Nc1cnc(Cl)nc1Cl.
What is the InChIKey of (2,4-dichloropyrimidin-5-yl)carbamic acid?
The InChIKey is CLRWADDPYFFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O2/c6-3-2(9-5(11)12)1-8-4(7)10-3/h1,9H,(H,11,12).
What are the key properties of (2,4-dichloropyrimidin-5-yl)carbamic acid?
(2,4-dichloropyrimidin-5-yl)carbamic acid has a molecular weight of 208.00 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloropyrimidin-5-yl)carbamic acid is sourced from PubChem (CID 118393438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).