(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol

C8H8Cl2N2O — CID 46941488

IUPAC(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
SMILESOCc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H8Cl2N2O/c9-6-5(3-13)7(10)12-8(11-6)4-1-2-4/h4,13H,1-3H2
InChIKeyXVMOVSKQAQZKQT-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.15
Rot. Bonds2

About (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol

(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol (PubChem CID 46941488) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
PubChem CID46941488
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
SMILESOCc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H8Cl2N2O/c9-6-5(3-13)7(10)12-8(11-6)4-1-2-4/h4,13H,1-3H2
InChIKeyXVMOVSKQAQZKQT-UHFFFAOYSA-N
XLogP2.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine
CID 54595731
(2-Amino-4,6-dichloropyrimidin-5-yl)methanol
CID 66545193
{4-[Allyl(methyl)amino]-6-chloro-2-methylpyrimidin-5-yl}methanol
CID 129874696
(4,6-Dichloro-2-methylpyrimidin-5-yl)methanol
CID 18344920
(2,4,6-Trichloropyrimidin-5-yl)methanol
CID 71464175
1-(4,6-Dichloro-2-methylpyrimidin-5-yl)ethanol
CID 117902946
4,6-Dichloro-5-(methoxymethyl)-2-methylpyrimidine
CID 138501748
[4-Chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
CID 164917253
4,6-Dichloro-2-(2-methoxyethyl)-5-methylpyrimidine
CID 63611978
2-[(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80969941
2-[(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80970843
3-[(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80970889

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol?
The IUPAC name of (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol (CID 46941488) is (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol?
The canonical SMILES for (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol is OCc1c(Cl)nc(C2CC2)nc1Cl.
What is the InChIKey of (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol?
The InChIKey is XVMOVSKQAQZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-5(3-13)7(10)12-8(11-6)4-1-2-4/h4,13H,1-3H2.
What are the key properties of (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol?
(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol has a molecular weight of 219.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol is sourced from PubChem (CID 46941488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).