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

C12H18N4O — CID 66331604

IUPACN-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)Oc1cc(NC2C3CNCC32)ncn1
InChIInChI=1S/C12H18N4O/c1-7(2)17-11-3-10(14-6-15-11)16-12-8-4-13-5-9(8)12/h3,6-9,12-13H,4-5H2,1-2H3,(H,14,15,16)
InChIKeySLIIENHUBOLEAL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds4

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

N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 66331604) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID66331604
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)Oc1cc(NC2C3CNCC32)ncn1
InChIInChI=1S/C12H18N4O/c1-7(2)17-11-3-10(14-6-15-11)16-12-8-4-13-5-9(8)12/h3,6-9,12-13H,4-5H2,1-2H3,(H,14,15,16)
InChIKeySLIIENHUBOLEAL-UHFFFAOYSA-N
XLogP0.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 61240751
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330565
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329616
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
CID 113395027
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 66331604) is N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is CC(C)Oc1cc(NC2C3CNCC32)ncn1.
What is the InChIKey of N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is SLIIENHUBOLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(2)17-11-3-10(14-6-15-11)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-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 234.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 66331604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).