N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine

C16H18FN7O — CID 167809394

IUPACN-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine
SMILESNC[C@@H]1COC[C@H]1n1cc(CNc2ncnc3ccc(F)cc23)nn1
InChIInChI=1S/C16H18FN7O/c17-11-1-2-14-13(3-11)16(21-9-20-14)19-5-12-6-24(23-22-12)15-8-25-7-10(15)4-18/h1-3,6,9-10,15H,4-5,7-8,18H2,(H,19,20,21)/t10-,15-/m1/s1
InChIKeyYVKBFDMSWPPXLO-MEBBXXQBSA-N
MW343.37 g/mol
LogP1.12
Rot. Bonds5

About N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine

N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine (PubChem CID 167809394) has the molecular formula C16H18FN7O and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine
PubChem CID167809394
Molecular FormulaC16H18FN7O
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC NameN-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine
SMILESNC[C@@H]1COC[C@H]1n1cc(CNc2ncnc3ccc(F)cc23)nn1
InChIInChI=1S/C16H18FN7O/c17-11-1-2-14-13(3-11)16(21-9-20-14)19-5-12-6-24(23-22-12)15-8-25-7-10(15)4-18/h1-3,6,9-10,15H,4-5,7-8,18H2,(H,19,20,21)/t10-,15-/m1/s1
InChIKeyYVKBFDMSWPPXLO-MEBBXXQBSA-N
XLogP1.12
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine with MolForge

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Related Compounds

[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methanol;dihydrochloride
CID 138008238
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-fluoroquinazolin-4-amine
CID 133269866
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
CID 71983698
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901375
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-fluoroquinazolin-4-amine
CID 78901330
6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
CID 51037841
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine (CID 167809394) is N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine is NC[C@@H]1COC[C@H]1n1cc(CNc2ncnc3ccc(F)cc23)nn1.
What is the InChIKey of N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine?
The InChIKey is YVKBFDMSWPPXLO-MEBBXXQBSA-N. The full InChI is InChI=1S/C16H18FN7O/c17-11-1-2-14-13(3-11)16(21-9-20-14)19-5-12-6-24(23-22-12)15-8-25-7-10(15)4-18/h1-3,6,9-10,15H,4-5,7-8,18H2,(H,19,20,21)/t10-,15-/m1/s1.
What are the key properties of N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine?
N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine has a molecular weight of 343.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 167809394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).