6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one

C19H25N5O2 — CID 169375778

IUPAC6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(N3C(N)=NC(N)=NC34CCCCC4)ccc2O1
InChIInChI=1S/C19H25N5O2/c1-18(2)11-14(25)13-10-12(6-7-15(13)26-18)24-17(21)22-16(20)23-19(24)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H4,20,21,22,23)
InChIKeyYKLUCGWATYIPRF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.54
Rot. Bonds1

About 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one

6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one (PubChem CID 169375778) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one
PubChem CID169375778
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(N3C(N)=NC(N)=NC34CCCCC4)ccc2O1
InChIInChI=1S/C19H25N5O2/c1-18(2)11-14(25)13-10-12(6-7-15(13)26-18)24-17(21)22-16(20)23-19(24)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H4,20,21,22,23)
InChIKeyYKLUCGWATYIPRF-UHFFFAOYSA-N
XLogP2.54
TPSA106.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 169375723
6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one
CID 169376401
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 169377472
5-(4-propan-2-ylsulfonylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375908
4-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 169377651
5-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169377118
5-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373872
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-fluorobenzoic acid
CID 169373660
2-bromo-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoic acid
CID 169376493
5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374737
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
CID 169377026

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one (CID 169375778) is 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2cc(N3C(N)=NC(N)=NC34CCCCC4)ccc2O1.
What is the InChIKey of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is YKLUCGWATYIPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-18(2)11-14(25)13-10-12(6-7-15(13)26-18)24-17(21)22-16(20)23-19(24)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one?
6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 355.44 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 169375778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).