5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine

C16H18N6 — CID 157184406

IUPAC5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine
SMILESN#Cc1ncc(C2CC2)cn1.NCc1ncc(C2CC2)cn1
InChIInChI=1S/C8H11N3.C8H7N3/c2*9-3-8-10-4-7(5-11-8)6-1-2-6/h4-6H,1-3,9H2;4-6H,1-2H2
InChIKeyAOYHXNBZWKNUIE-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.04
Rot. Bonds3

About 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine

5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine (PubChem CID 157184406) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine
PubChem CID157184406
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine
SMILESN#Cc1ncc(C2CC2)cn1.NCc1ncc(C2CC2)cn1
InChIInChI=1S/C8H11N3.C8H7N3/c2*9-3-8-10-4-7(5-11-8)6-1-2-6/h4-6H,1-3,9H2;4-6H,1-2H2
InChIKeyAOYHXNBZWKNUIE-UHFFFAOYSA-N
XLogP2.04
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine?
The IUPAC name of 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine (CID 157184406) is 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine.
What is the SMILES notation for 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine?
The canonical SMILES for 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine is N#Cc1ncc(C2CC2)cn1.NCc1ncc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine?
The InChIKey is AOYHXNBZWKNUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C8H7N3/c2*9-3-8-10-4-7(5-11-8)6-1-2-6/h4-6H,1-3,9H2;4-6H,1-2H2.
What are the key properties of 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine?
5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine has a molecular weight of 294.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 157184406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).