1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine

C12H20N4O — CID 66325325

IUPAC1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
SMILESCOc1ncnc(N2CC(N)(C(C)C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8(2)12(13)5-16(6-12)10-9(3)11(17-4)15-7-14-10/h7-8H,5-6,13H2,1-4H3
InChIKeyAYKQHNYYCOOURW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds3

About 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine

1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine (PubChem CID 66325325) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
PubChem CID66325325
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
SMILESCOc1ncnc(N2CC(N)(C(C)C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8(2)12(13)5-16(6-12)10-9(3)11(17-4)15-7-14-10/h7-8H,5-6,13H2,1-4H3
InChIKeyAYKQHNYYCOOURW-UHFFFAOYSA-N
XLogP0.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine?
The IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine (CID 66325325) is 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine.
What is the SMILES notation for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine?
The canonical SMILES for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine is COc1ncnc(N2CC(N)(C(C)C)C2)c1C.
What is the InChIKey of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine?
The InChIKey is AYKQHNYYCOOURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)12(13)5-16(6-12)10-9(3)11(17-4)15-7-14-10/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine?
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine is sourced from PubChem (CID 66325325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).