[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol

C19H20N4O2 — CID 45252320

IUPAC[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2CCCc3nc(-c4cccnc4)ncc32)o1
InChIInChI=1S/C19H20N4O2/c24-12-15-7-6-14(25-15)10-21-17-4-1-5-18-16(17)11-22-19(23-18)13-3-2-8-20-9-13/h2-3,6-9,11,17,21,24H,1,4-5,10,12H2
InChIKeyHYIHBFRALXGACR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.79
Rot. Bonds5

About [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol

[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 45252320) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
PubChem CID45252320
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC2CCCc3nc(-c4cccnc4)ncc32)o1
InChIInChI=1S/C19H20N4O2/c24-12-15-7-6-14(25-15)10-21-17-4-1-5-18-16(17)11-22-19(23-18)13-3-2-8-20-9-13/h2-3,6-9,11,17,21,24H,1,4-5,10,12H2
InChIKeyHYIHBFRALXGACR-UHFFFAOYSA-N
XLogP2.79
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45205825
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45228915
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45176482
(5R)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192976
(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192978
3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
CID 45235406
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97131151

Frequently Asked Questions

What is the IUPAC name of [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol (CID 45252320) is [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol is OCc1ccc(CNC2CCCc3nc(-c4cccnc4)ncc32)o1.
What is the InChIKey of [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is HYIHBFRALXGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-12-15-7-6-14(25-15)10-21-17-4-1-5-18-16(17)11-22-19(23-18)13-3-2-8-20-9-13/h2-3,6-9,11,17,21,24H,1,4-5,10,12H2.
What are the key properties of [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol?
[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 336.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 45252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).