5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine

C14H13N5O — CID 11507270

IUPAC5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3cccnc3)cccc2n1
InChIInChI=1S/C14H13N5O/c15-13-12-10(18-14(16)19-13)4-1-5-11(12)20-8-9-3-2-6-17-7-9/h1-7H,8H2,(H4,15,16,18,19)
InChIKeyMSZZQAFBKQDALG-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.77
Rot. Bonds3

About 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine

5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine (PubChem CID 11507270) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine
PubChem CID11507270
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCc3cccnc3)cccc2n1
InChIInChI=1S/C14H13N5O/c15-13-12-10(18-14(16)19-13)4-1-5-11(12)20-8-9-3-2-6-17-7-9/h1-7H,8H2,(H4,15,16,18,19)
InChIKeyMSZZQAFBKQDALG-UHFFFAOYSA-N
XLogP1.77
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine (CID 11507270) is 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine is Nc1nc(N)c2c(OCc3cccnc3)cccc2n1.
What is the InChIKey of 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine?
The InChIKey is MSZZQAFBKQDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-13-12-10(18-14(16)19-13)4-1-5-11(12)20-8-9-3-2-6-17-7-9/h1-7H,8H2,(H4,15,16,18,19).
What are the key properties of 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine?
5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine has a molecular weight of 267.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 11507270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).