4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile

C10H14N4O — CID 116647027

IUPAC4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC(C)Cc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySIHKLFJQQGVWCF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile

4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 116647027) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID116647027
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile
SMILESCOC(C)Cc1nc(C)c(C#N)c(N)n1
InChIInChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14)
InChIKeySIHKLFJQQGVWCF-UHFFFAOYSA-N
XLogP0.82
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile (CID 116647027) is 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile is COC(C)Cc1nc(C)c(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is SIHKLFJQQGVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(15-3)4-9-13-7(2)8(5-11)10(12)14-9/h6H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxypropyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116647027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).