2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C19H24N4O2 — CID 133462232

IUPAC2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ccnc(OC4CCOC4)c3)n1)CCCC2
InChIInChI=1S/C19H24N4O2/c1-13-22-17-5-3-2-4-16(17)19(23-13)21-11-14-6-8-20-18(10-14)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,11-12H2,1H3,(H,21,22,23)
InChIKeyYFXKPEQGIFSQMI-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133462232) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133462232
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCc3ccnc(OC4CCOC4)c3)n1)CCCC2
InChIInChI=1S/C19H24N4O2/c1-13-22-17-5-3-2-4-16(17)19(23-13)21-11-14-6-8-20-18(10-14)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,11-12H2,1H3,(H,21,22,23)
InChIKeyYFXKPEQGIFSQMI-UHFFFAOYSA-N
XLogP2.84
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133462232) is 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCc3ccnc(OC4CCOC4)c3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is YFXKPEQGIFSQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-22-17-5-3-2-4-16(17)19(23-13)21-11-14-6-8-20-18(10-14)25-15-7-9-24-12-15/h6,8,10,15H,2-5,7,9,11-12H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133462232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).