(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol

C19H18ClN3O2 — CID 56662424

IUPAC(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-18-8-5-15(11-23-18)19(24,16-9-21-12-22-10-16)14-3-6-17(20)7-4-14/h3-13,24H,1-2H3
InChIKeyXCBLQWXEZNDRJP-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.60
Rot. Bonds5

About (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol (PubChem CID 56662424) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol
PubChem CID56662424
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-18-8-5-15(11-23-18)19(24,16-9-21-12-22-10-16)14-3-6-17(20)7-4-14/h3-13,24H,1-2H3
InChIKeyXCBLQWXEZNDRJP-UHFFFAOYSA-N
XLogP3.60
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol (CID 56662424) is (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol is CC(C)Oc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol?
The InChIKey is XCBLQWXEZNDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(2)25-18-8-5-15(11-23-18)19(24,16-9-21-12-22-10-16)14-3-6-17(20)7-4-14/h3-13,24H,1-2H3.
What are the key properties of (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol has a molecular weight of 355.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-propan-2-yloxy-3-pyridinyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56662424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).