(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol

C10H16N2O2 — CID 163903609

IUPAC(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol
SMILESCC1C(N)=C(N)C=CC1[C@H]1CC1(O)O
InChIInChI=1S/C10H16N2O2/c1-5-6(7-4-10(7,13)14)2-3-8(11)9(5)12/h2-3,5-7,13-14H,4,11-12H2,1H3/t5?,6?,7-/m1/s1
InChIKeyQLZIHGWRESTQNR-KPGICGJXSA-N
MW196.25 g/mol
LogP-0.36
Rot. Bonds1

About (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol

(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol (PubChem CID 163903609) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol.

Molecular Properties

Compound Name(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol
PubChem CID163903609
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol
SMILESCC1C(N)=C(N)C=CC1[C@H]1CC1(O)O
InChIInChI=1S/C10H16N2O2/c1-5-6(7-4-10(7,13)14)2-3-8(11)9(5)12/h2-3,5-7,13-14H,4,11-12H2,1H3/t5?,6?,7-/m1/s1
InChIKeyQLZIHGWRESTQNR-KPGICGJXSA-N
XLogP-0.36
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylcyclopropane-1,1-diol
CID 68932442
2-methyl-1,2-dihydropyridine-3,4-diamine
CID 86341262
(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
CID 14661581
(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 163504031
5-(4,5-diamino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-diene-1,2-diamine
CID 140980197
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
8a-methyl-1H-naphthalene-1,4-diamine
CID 163261239
(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
CID 135191708
4-cyclohexyl-3-methylcyclohexa-1,5-dien-1-amine
CID 146492465
cyclohexa-1,5-diene-1,2,4-triamine
CID 165106631
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
2,5-diaminocyclohepta-1,3,6-trien-1-ol
CID 163865880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol?
The IUPAC name of (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol (CID 163903609) is (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol.
What is the SMILES notation for (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol?
The canonical SMILES for (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol is CC1C(N)=C(N)C=CC1[C@H]1CC1(O)O.
What is the InChIKey of (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol?
The InChIKey is QLZIHGWRESTQNR-KPGICGJXSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-6(7-4-10(7,13)14)2-3-8(11)9(5)12/h2-3,5-7,13-14H,4,11-12H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol?
(2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol has a molecular weight of 196.25 g/mol, XLogP of -0.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-diamino-6-methylcyclohexa-2,4-dien-1-yl)cyclopropane-1,1-diol is sourced from PubChem (CID 163903609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).