(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C19H18ClN3O2 — CID 56672636

IUPAC(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2cnc(Cl)nc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-17-7-5-14(6-8-17)19(24,15-4-3-9-21-10-15)16-11-22-18(20)23-12-16/h3-13,24H,1-2H3
InChIKeyNXBLIGLFMRGDMZ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.60
Rot. Bonds5

About (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56672636) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56672636
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2cnc(Cl)nc2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-17-7-5-14(6-8-17)19(24,15-4-3-9-21-10-15)16-11-22-18(20)23-12-16/h3-13,24H,1-2H3
InChIKeyNXBLIGLFMRGDMZ-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 (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56672636) is (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is CC(C)Oc1ccc(C(O)(c2cccnc2)c2cnc(Cl)nc2)cc1.
What is the InChIKey of (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is NXBLIGLFMRGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(2)25-17-7-5-14(6-8-17)19(24,15-4-3-9-21-10-15)16-11-22-18(20)23-12-16/h3-13,24H,1-2H3.
What are the key properties of (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
(2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-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 (2-chloropyrimidin-5-yl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56672636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).