3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile

C11H16N4 — CID 61239560

IUPAC3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
SMILESCCCc1cc(N(C)CCC#N)ncn1
InChIInChI=1S/C11H16N4/c1-3-5-10-8-11(14-9-13-10)15(2)7-4-6-12/h8-9H,3-5,7H2,1-2H3
InChIKeyKWEOUVYCWOKIQV-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.78
Rot. Bonds5

About 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile

3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile (PubChem CID 61239560) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
PubChem CID61239560
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
SMILESCCCc1cc(N(C)CCC#N)ncn1
InChIInChI=1S/C11H16N4/c1-3-5-10-8-11(14-9-13-10)15(2)7-4-6-12/h8-9H,3-5,7H2,1-2H3
InChIKeyKWEOUVYCWOKIQV-UHFFFAOYSA-N
XLogP1.78
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile (CID 61239560) is 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile is CCCc1cc(N(C)CCC#N)ncn1.
What is the InChIKey of 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile?
The InChIKey is KWEOUVYCWOKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-5-10-8-11(14-9-13-10)15(2)7-4-6-12/h8-9H,3-5,7H2,1-2H3.
What are the key properties of 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile?
3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile has a molecular weight of 204.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 61239560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).