(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone

C13H18N4O — CID 136547615

IUPAC(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C3CC3)nc2N)C1
InChIInChI=1S/C13H18N4O/c1-2-8-6-17(7-8)13(18)10-5-15-12(9-3-4-9)16-11(10)14/h5,8-9H,2-4,6-7H2,1H3,(H2,14,15,16)
InChIKeyYFIQJSUNKHRLNP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.42
Rot. Bonds3

About (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone

(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone (PubChem CID 136547615) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
PubChem CID136547615
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cnc(C3CC3)nc2N)C1
InChIInChI=1S/C13H18N4O/c1-2-8-6-17(7-8)13(18)10-5-15-12(9-3-4-9)16-11(10)14/h5,8-9H,2-4,6-7H2,1H3,(H2,14,15,16)
InChIKeyYFIQJSUNKHRLNP-UHFFFAOYSA-N
XLogP1.42
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone?
The IUPAC name of (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone (CID 136547615) is (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone is CCC1CN(C(=O)c2cnc(C3CC3)nc2N)C1.
What is the InChIKey of (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone?
The InChIKey is YFIQJSUNKHRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-8-6-17(7-8)13(18)10-5-15-12(9-3-4-9)16-11(10)14/h5,8-9H,2-4,6-7H2,1H3,(H2,14,15,16).
What are the key properties of (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone?
(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone is sourced from PubChem (CID 136547615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).