2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol

C14H17Cl2N5O — CID 169378221

IUPAC2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol
SMILESNC1=NC2(CCCCC2)N(c2cc(Cl)c(O)c(Cl)c2)C(N)=N1
InChIInChI=1S/C14H17Cl2N5O/c15-9-6-8(7-10(16)11(9)22)21-13(18)19-12(17)20-14(21)4-2-1-3-5-14/h6-7,22H,1-5H2,(H4,17,18,19,20)
InChIKeyATUMXINNZCBLCQ-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.81
Rot. Bonds1

About 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol

2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol (PubChem CID 169378221) has the molecular formula C14H17Cl2N5O and a molecular weight of 342.23 g/mol. Its IUPAC name is 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol
PubChem CID169378221
Molecular FormulaC14H17Cl2N5O
Molecular Weight342.23 g/mol
Exact Mass341.08
IUPAC Name2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol
SMILESNC1=NC2(CCCCC2)N(c2cc(Cl)c(O)c(Cl)c2)C(N)=N1
InChIInChI=1S/C14H17Cl2N5O/c15-9-6-8(7-10(16)11(9)22)21-13(18)19-12(17)20-14(21)4-2-1-3-5-14/h6-7,22H,1-5H2,(H4,17,18,19,20)
InChIKeyATUMXINNZCBLCQ-UHFFFAOYSA-N
XLogP2.81
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-bromo-2,6-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373625
1-[3-acetyl-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]ethanone
CID 169376461
2-chloro-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzenesulfonic acid
CID 169378350
3,5-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoic acid
CID 169373806
5-(2,4-dichloro-6-iodophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373713
5-(4-chloro-3-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373756
3-chloro-2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-5-(trifluoromethyl)phenol
CID 169377712
5-(4,6-dibromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373941
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
5-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374261
5-[3,5-bis(methylsulfonyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376370
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol?
The IUPAC name of 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol (CID 169378221) is 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol.
What is the SMILES notation for 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol?
The canonical SMILES for 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol is NC1=NC2(CCCCC2)N(c2cc(Cl)c(O)c(Cl)c2)C(N)=N1.
What is the InChIKey of 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol?
The InChIKey is ATUMXINNZCBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O/c15-9-6-8(7-10(16)11(9)22)21-13(18)19-12(17)20-14(21)4-2-1-3-5-14/h6-7,22H,1-5H2,(H4,17,18,19,20).
What are the key properties of 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol?
2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol has a molecular weight of 342.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol is sourced from PubChem (CID 169378221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).