2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol

C14H19FN4O2 — CID 151875719

IUPAC2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol
SMILESCCCC(O)C(CO)Nc1nc(N)nc2cccc(F)c12
InChIInChI=1S/C14H19FN4O2/c1-2-4-11(21)10(7-20)17-13-12-8(15)5-3-6-9(12)18-14(16)19-13/h3,5-6,10-11,20-21H,2,4,7H2,1H3,(H3,16,17,18,19)
InChIKeySNQBSPUKOJQYEO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.28
Rot. Bonds6

About 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol

2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol (PubChem CID 151875719) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol
PubChem CID151875719
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol
SMILESCCCC(O)C(CO)Nc1nc(N)nc2cccc(F)c12
InChIInChI=1S/C14H19FN4O2/c1-2-4-11(21)10(7-20)17-13-12-8(15)5-3-6-9(12)18-14(16)19-13/h3,5-6,10-11,20-21H,2,4,7H2,1H3,(H3,16,17,18,19)
InChIKeySNQBSPUKOJQYEO-UHFFFAOYSA-N
XLogP1.28
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol with MolForge

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Related Compounds

2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 122585253
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
CID 71041909
2-amino-4-(1-hydroxypentan-2-ylamino)-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrido[4,3-d]pyrimidin-5-one
CID 170186389
3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol
CID 175081415
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol?
The IUPAC name of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol (CID 151875719) is 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol.
What is the SMILES notation for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol?
The canonical SMILES for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol is CCCC(O)C(CO)Nc1nc(N)nc2cccc(F)c12.
What is the InChIKey of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol?
The InChIKey is SNQBSPUKOJQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-4-11(21)10(7-20)17-13-12-8(15)5-3-6-9(12)18-14(16)19-13/h3,5-6,10-11,20-21H,2,4,7H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol?
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol has a molecular weight of 294.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoroquinazolin-4-yl)amino]hexane-1,3-diol is sourced from PubChem (CID 151875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).