(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile

C10H11N5 — CID 145418002

IUPAC(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile
SMILESC=Cc1c(NC)ncnc1/C(C#N)=C/N
InChIInChI=1S/C10H11N5/c1-3-8-9(7(4-11)5-12)14-6-15-10(8)13-2/h3-4,6H,1,11H2,2H3,(H,13,14,15)/b7-4+
InChIKeyJFHQZSOMWRRWPG-QPJJXVBHSA-N
MW201.23 g/mol
LogP0.98
Rot. Bonds3

About (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile

(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile (PubChem CID 145418002) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile
PubChem CID145418002
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile
SMILESC=Cc1c(NC)ncnc1/C(C#N)=C/N
InChIInChI=1S/C10H11N5/c1-3-8-9(7(4-11)5-12)14-6-15-10(8)13-2/h3-4,6H,1,11H2,2H3,(H,13,14,15)/b7-4+
InChIKeyJFHQZSOMWRRWPG-QPJJXVBHSA-N
XLogP0.98
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile (CID 145418002) is (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile is C=Cc1c(NC)ncnc1/C(C#N)=C/N.
What is the InChIKey of (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile?
The InChIKey is JFHQZSOMWRRWPG-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H11N5/c1-3-8-9(7(4-11)5-12)14-6-15-10(8)13-2/h3-4,6H,1,11H2,2H3,(H,13,14,15)/b7-4+.
What are the key properties of (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile?
(Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile has a molecular weight of 201.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[5-ethenyl-6-(methylamino)pyrimidin-4-yl]prop-2-enenitrile is sourced from PubChem (CID 145418002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).