[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

C19H25N5O2 — CID 56755322

IUPAC[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nc(-c3ccncc3)nc3c2CCNC3)CCOCC1
InChIInChI=1S/C19H25N5O2/c25-13-19(4-9-26-10-5-19)12-22-18-15-3-8-21-11-16(15)23-17(24-18)14-1-6-20-7-2-14/h1-2,6-7,21,25H,3-5,8-13H2,(H,22,23,24)
InChIKeyPLEDDZUHBMJWQI-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.39
Rot. Bonds5

About [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 56755322) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID56755322
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2nc(-c3ccncc3)nc3c2CCNC3)CCOCC1
InChIInChI=1S/C19H25N5O2/c25-13-19(4-9-26-10-5-19)12-22-18-15-3-8-21-11-16(15)23-17(24-18)14-1-6-20-7-2-14/h1-2,6-7,21,25H,3-5,8-13H2,(H,22,23,24)
InChIKeyPLEDDZUHBMJWQI-UHFFFAOYSA-N
XLogP1.39
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol (CID 56755322) is [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is OCC1(CNc2nc(-c3ccncc3)nc3c2CCNC3)CCOCC1.
What is the InChIKey of [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is PLEDDZUHBMJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-13-19(4-9-26-10-5-19)12-22-18-15-3-8-21-11-16(15)23-17(24-18)14-1-6-20-7-2-14/h1-2,6-7,21,25H,3-5,8-13H2,(H,22,23,24).
What are the key properties of [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 355.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 56755322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).