[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C12H18N4 — CID 83836775

IUPAC[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCc1cnc(N2CC3C(CN)C3C2)nc1C
InChIInChI=1S/C12H18N4/c1-7-4-14-12(15-8(7)2)16-5-10-9(3-13)11(10)6-16/h4,9-11H,3,5-6,13H2,1-2H3
InChIKeyHYVWMGWXMLCTQC-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.73
Rot. Bonds2

About [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 83836775) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID83836775
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCc1cnc(N2CC3C(CN)C3C2)nc1C
InChIInChI=1S/C12H18N4/c1-7-4-14-12(15-8(7)2)16-5-10-9(3-13)11(10)6-16/h4,9-11H,3,5-6,13H2,1-2H3
InChIKeyHYVWMGWXMLCTQC-UHFFFAOYSA-N
XLogP0.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-methyl-1,3-oxazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 112709653
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189400
[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
CID 83189163
1-(4,5-dimethylpyrimidin-2-yl)piperidine-4-sulfonamide
CID 136518722
[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol
CID 71634704
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465389
2-[2-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133349367
[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278831
[(1S,5R)-3-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 163294481
[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83185063
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430

Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 83836775) is [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is Cc1cnc(N2CC3C(CN)C3C2)nc1C.
What is the InChIKey of [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is HYVWMGWXMLCTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7-4-14-12(15-8(7)2)16-5-10-9(3-13)11(10)6-16/h4,9-11H,3,5-6,13H2,1-2H3.
What are the key properties of [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
[3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dimethylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 83836775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).