5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile

C12H11N5O — CID 10490284

IUPAC5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile
SMILES[H]/N=c1/c(N)c(C#N)ncn1OCc1ccccc1
InChIInChI=1S/C12H11N5O/c13-6-10-11(14)12(15)17(8-16-10)18-7-9-4-2-1-3-5-9/h1-5,8,15H,7,14H2/b15-12-
InChIKeyNDPGXTSMVSAWHD-QINSGFPZSA-N
MW241.25 g/mol
LogP0.45
Rot. Bonds3

About 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile

5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile (PubChem CID 10490284) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile
PubChem CID10490284
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile
SMILES[H]/N=c1/c(N)c(C#N)ncn1OCc1ccccc1
InChIInChI=1S/C12H11N5O/c13-6-10-11(14)12(15)17(8-16-10)18-7-9-4-2-1-3-5-9/h1-5,8,15H,7,14H2/b15-12-
InChIKeyNDPGXTSMVSAWHD-QINSGFPZSA-N
XLogP0.45
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile?
The IUPAC name of 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile (CID 10490284) is 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile.
What is the SMILES notation for 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile?
The canonical SMILES for 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile is [H]/N=c1/c(N)c(C#N)ncn1OCc1ccccc1.
What is the InChIKey of 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile?
The InChIKey is NDPGXTSMVSAWHD-QINSGFPZSA-N. The full InChI is InChI=1S/C12H11N5O/c13-6-10-11(14)12(15)17(8-16-10)18-7-9-4-2-1-3-5-9/h1-5,8,15H,7,14H2/b15-12-.
What are the key properties of 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile?
5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile is sourced from PubChem (CID 10490284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).