5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C15H15FN6O — CID 154649275

IUPAC5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(N[C@@H]2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21)/t9-/m1/s1
InChIKeyBVUAJYCMDWKQDP-SECBINFHSA-N
MW314.32 g/mol
LogP1.94
Rot. Bonds3

About 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649275) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649275
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(N[C@@H]2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21)/t9-/m1/s1
InChIKeyBVUAJYCMDWKQDP-SECBINFHSA-N
XLogP1.94
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649275) is 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(N[C@@H]2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is BVUAJYCMDWKQDP-SECBINFHSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21)/t9-/m1/s1.
What are the key properties of 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 314.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).