(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol

C12H13ClN4O2 — CID 71299202

IUPAC(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
SMILESOCc1ccc2c(N3CCOCC3)nc(Cl)nc2n1
InChIInChI=1S/C12H13ClN4O2/c13-12-15-10-9(2-1-8(7-18)14-10)11(16-12)17-3-5-19-6-4-17/h1-2,18H,3-7H2
InChIKeyNGSMFTZOLSDUKX-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.01
Rot. Bonds2

About (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol

(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol (PubChem CID 71299202) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
PubChem CID71299202
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
SMILESOCc1ccc2c(N3CCOCC3)nc(Cl)nc2n1
InChIInChI=1S/C12H13ClN4O2/c13-12-15-10-9(2-1-8(7-18)14-10)11(16-12)17-3-5-19-6-4-17/h1-2,18H,3-7H2
InChIKeyNGSMFTZOLSDUKX-UHFFFAOYSA-N
XLogP1.01
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol?
The IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol (CID 71299202) is (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol.
What is the SMILES notation for (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol?
The canonical SMILES for (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol is OCc1ccc2c(N3CCOCC3)nc(Cl)nc2n1.
What is the InChIKey of (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol?
The InChIKey is NGSMFTZOLSDUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-12-15-10-9(2-1-8(7-18)14-10)11(16-12)17-3-5-19-6-4-17/h1-2,18H,3-7H2.
What are the key properties of (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol?
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol has a molecular weight of 280.72 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol is sourced from PubChem (CID 71299202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).