2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol

C22H19N5O — CID 86107032

IUPAC2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol
SMILESNc1nc(N)c2cc(CNc3ccc4c(c3)C(O)c3ccccc3-4)ccc2n1
InChIInChI=1S/C22H19N5O/c23-21-18-9-12(5-8-19(18)26-22(24)27-21)11-25-13-6-7-15-14-3-1-2-4-16(14)20(28)17(15)10-13/h1-10,20,25,28H,11H2,(H4,23,24,26,27)
InChIKeyYCVPDMOGYAENCS-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.47
Rot. Bonds3

About 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol

2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol (PubChem CID 86107032) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol.

Molecular Properties

Compound Name2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol
PubChem CID86107032
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol
SMILESNc1nc(N)c2cc(CNc3ccc4c(c3)C(O)c3ccccc3-4)ccc2n1
InChIInChI=1S/C22H19N5O/c23-21-18-9-12(5-8-19(18)26-22(24)27-21)11-25-13-6-7-15-14-3-1-2-4-16(14)20(28)17(15)10-13/h1-10,20,25,28H,11H2,(H4,23,24,26,27)
InChIKeyYCVPDMOGYAENCS-UHFFFAOYSA-N
XLogP3.47
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
CID 4039872
6-N-[[4-[1-(pyridin-2-ylmethylamino)ethenyl]phenyl]methyl]quinazoline-2,4,6-triamine
CID 59099570
methyl (2S)-2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]-5-(1,3-dioxoisoindol-2-yl)pentanoate
CID 10745588
3-[4-[(2,4-diaminoquinazolin-6-yl)methylamino]-2,6-dimethoxyphenoxy]propanoic acid;dihydrochloride
CID 134114923
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
dimethyl (2R)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 44570511
6-(nitrosomethyl)quinazoline-2,4-diamine
CID 172623336
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
diethyl (2S)-2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
CID 90672045

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol?
The IUPAC name of 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol (CID 86107032) is 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol.
What is the SMILES notation for 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol?
The canonical SMILES for 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol is Nc1nc(N)c2cc(CNc3ccc4c(c3)C(O)c3ccccc3-4)ccc2n1.
What is the InChIKey of 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol?
The InChIKey is YCVPDMOGYAENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-21-18-9-12(5-8-19(18)26-22(24)27-21)11-25-13-6-7-15-14-3-1-2-4-16(14)20(28)17(15)10-13/h1-10,20,25,28H,11H2,(H4,23,24,26,27).
What are the key properties of 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol?
2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol has a molecular weight of 369.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diaminoquinazolin-6-yl)methylamino]-9H-fluoren-9-ol is sourced from PubChem (CID 86107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).