2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine

C19H19FN4O — CID 705353

IUPAC2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyZGOVASAFQLMKPM-ZDUSSCGKSA-N
MW338.39 g/mol
LogP4.10
Rot. Bonds5

About 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine

2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine (PubChem CID 705353) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
PubChem CID705353
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24)/t13-/m0/s1
InChIKeyZGOVASAFQLMKPM-ZDUSSCGKSA-N
XLogP4.10
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729091
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2-N-(2-fluorophenyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 41035169
2-N-(3-chloro-4-methylphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 56729090
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 715619
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
2-fluoro-4-[2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]ethyl]phenol
CID 123240505
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine (CID 705353) is 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine is Fc1ccccc1Nc1nc(NC[C@@H]2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine?
The InChIKey is ZGOVASAFQLMKPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-8-2-4-10-17(15)23-19-22-16-9-3-1-7-14(16)18(24-19)21-12-13-6-5-11-25-13/h1-4,7-10,13H,5-6,11-12H2,(H2,21,22,23,24)/t13-/m0/s1.
What are the key properties of 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine?
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 705353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).