[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol

C20H23N5O3 — CID 71250855

IUPAC[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(CN)nc3n2)cc1CO
InChIInChI=1S/C20H23N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,11-12,21H2,1H3
InChIKeyMHLSWTYJKBTJCS-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.49
Rot. Bonds5

About [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol

[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (PubChem CID 71250855) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
PubChem CID71250855
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(-c2ccc3c(N4CCOCC4)nc(CN)nc3n2)cc1CO
InChIInChI=1S/C20H23N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,11-12,21H2,1H3
InChIKeyMHLSWTYJKBTJCS-UHFFFAOYSA-N
XLogP1.49
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (CID 71250855) is [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is COc1ccc(-c2ccc3c(N4CCOCC4)nc(CN)nc3n2)cc1CO.
What is the InChIKey of [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The InChIKey is MHLSWTYJKBTJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-17-5-2-13(10-14(17)12-26)16-4-3-15-19(22-16)23-18(11-21)24-20(15)25-6-8-28-9-7-25/h2-5,10,26H,6-9,11-12,21H2,1H3.
What are the key properties of [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol has a molecular weight of 381.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 71250855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).