(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C12H16N4 — CID 167085170

IUPAC(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1[C@H]2CN(c3ncc(C4CC4)cn3)C[C@@H]12
InChIInChI=1S/C12H16N4/c13-11-9-5-16(6-10(9)11)12-14-3-8(4-15-12)7-1-2-7/h3-4,7,9-11H,1-2,5-6,13H2/t9-,10+,11?
InChIKeyQSZKZNRLQAWXPY-ZACCUICWSA-N
MW216.29 g/mol
LogP0.75
Rot. Bonds2

About (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 167085170) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID167085170
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1[C@H]2CN(c3ncc(C4CC4)cn3)C[C@@H]12
InChIInChI=1S/C12H16N4/c13-11-9-5-16(6-10(9)11)12-14-3-8(4-15-12)7-1-2-7/h3-4,7,9-11H,1-2,5-6,13H2/t9-,10+,11?
InChIKeyQSZKZNRLQAWXPY-ZACCUICWSA-N
XLogP0.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170155927
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
[1-(5-cyclobutylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 116976106
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
CID 153410114
2-[4-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]cyclohexyl]ethanethiol
CID 174183901
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
5-cyclopropylpyridin-2-amine
CID 23004869

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 167085170) is (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine is NC1[C@H]2CN(c3ncc(C4CC4)cn3)C[C@@H]12.
What is the InChIKey of (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is QSZKZNRLQAWXPY-ZACCUICWSA-N. The full InChI is InChI=1S/C12H16N4/c13-11-9-5-16(6-10(9)11)12-14-3-8(4-15-12)7-1-2-7/h3-4,7,9-11H,1-2,5-6,13H2/t9-,10+,11?.
What are the key properties of (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 216.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(5-cyclopropylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 167085170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).