4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile

C11H15N5 — CID 25020934

IUPAC4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile
SMILESCC1CCN(c2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-14-7-9(6-12)10(13)15-11/h7-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyQOIOAYWJNSOFPW-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.17
Rot. Bonds1

About 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile

4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 25020934) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile
PubChem CID25020934
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile
SMILESCC1CCN(c2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-14-7-9(6-12)10(13)15-11/h7-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyQOIOAYWJNSOFPW-UHFFFAOYSA-N
XLogP1.17
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile (CID 25020934) is 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile is CC1CCN(c2ncc(C#N)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is QOIOAYWJNSOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-14-7-9(6-12)10(13)15-11/h7-8H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile?
4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylpiperidin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 25020934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).