N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine

C19H20N4O2 — CID 91771429

IUPACN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
SMILESc1ccc(CO[C@@H]2COCC[C@H]2Nc2ncnc3ccccc23)nc1
InChIInChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)19(22-13-21-16)23-17-8-10-24-12-18(17)25-11-14-5-3-4-9-20-14/h1-7,9,13,17-18H,8,10-12H2,(H,21,22,23)/t17-,18-/m1/s1
InChIKeyWUTGZLHDYYXGPN-QZTJIDSGSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds5

About N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine (PubChem CID 91771429) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
PubChem CID91771429
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
SMILESc1ccc(CO[C@@H]2COCC[C@H]2Nc2ncnc3ccccc23)nc1
InChIInChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)19(22-13-21-16)23-17-8-10-24-12-18(17)25-11-14-5-3-4-9-20-14/h1-7,9,13,17-18H,8,10-12H2,(H,21,22,23)/t17-,18-/m1/s1
InChIKeyWUTGZLHDYYXGPN-QZTJIDSGSA-N
XLogP2.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine?
The IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine (CID 91771429) is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine.
What is the SMILES notation for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine?
The canonical SMILES for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine is c1ccc(CO[C@@H]2COCC[C@H]2Nc2ncnc3ccccc23)nc1.
What is the InChIKey of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine?
The InChIKey is WUTGZLHDYYXGPN-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-7-16-15(6-1)19(22-13-21-16)23-17-8-10-24-12-18(17)25-11-14-5-3-4-9-20-14/h1-7,9,13,17-18H,8,10-12H2,(H,21,22,23)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine?
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine has a molecular weight of 336.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine is sourced from PubChem (CID 91771429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).