N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C12H18N4 — CID 61240751

IUPACN-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)c1cc(NC2C3CNCC32)ncn1
InChIInChI=1S/C12H18N4/c1-7(2)10-3-11(15-6-14-10)16-12-8-4-13-5-9(8)12/h3,6-9,12-13H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyPGLSQMXXJYXCLD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.23
Rot. Bonds3

About N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 61240751) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID61240751
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)c1cc(NC2C3CNCC32)ncn1
InChIInChI=1S/C12H18N4/c1-7(2)10-3-11(15-6-14-10)16-12-8-4-13-5-9(8)12/h3,6-9,12-13H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyPGLSQMXXJYXCLD-UHFFFAOYSA-N
XLogP1.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 66331604
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006560
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
N-(5,6-dimethylpyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 114476406
N-(5-methyl-1H-pyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 90245634
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
6-pentan-3-yl-N-piperidin-3-ylpyrimidin-4-amine
CID 126848416
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 61240751) is N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is CC(C)c1cc(NC2C3CNCC32)ncn1.
What is the InChIKey of N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is PGLSQMXXJYXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)10-3-11(15-6-14-10)16-12-8-4-13-5-9(8)12/h3,6-9,12-13H,4-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 218.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 61240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).