3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile

C15H22N4O — CID 71845599

IUPAC3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile
SMILESCOCc1nc(C)cc(N(CCC#N)CC2CCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-9-15(18-14(17-12)11-20-2)19(8-4-7-16)10-13-5-3-6-13/h9,13H,3-6,8,10-11H2,1-2H3
InChIKeyKRHSVLNZKFYIMR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds7

About 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile

3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile (PubChem CID 71845599) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile
PubChem CID71845599
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile
SMILESCOCc1nc(C)cc(N(CCC#N)CC2CCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-9-15(18-14(17-12)11-20-2)19(8-4-7-16)10-13-5-3-6-13/h9,13H,3-6,8,10-11H2,1-2H3
InChIKeyKRHSVLNZKFYIMR-UHFFFAOYSA-N
XLogP2.45
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile (CID 71845599) is 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile is COCc1nc(C)cc(N(CCC#N)CC2CCC2)n1.
What is the InChIKey of 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile?
The InChIKey is KRHSVLNZKFYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-9-15(18-14(17-12)11-20-2)19(8-4-7-16)10-13-5-3-6-13/h9,13H,3-6,8,10-11H2,1-2H3.
What are the key properties of 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile?
3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile has a molecular weight of 274.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 71845599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).