4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile

C9H12N4O — CID 116734138

IUPAC4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
SMILESCCC(OC)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H12N4O/c1-3-7(14-2)9-12-5-6(4-10)8(11)13-9/h5,7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyWTLYGSAUVFIRLL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile

4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile (PubChem CID 116734138) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
PubChem CID116734138
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
SMILESCCC(OC)c1ncc(C#N)c(N)n1
InChIInChI=1S/C9H12N4O/c1-3-7(14-2)9-12-5-6(4-10)8(11)13-9/h5,7H,3H2,1-2H3,(H2,11,12,13)
InChIKeyWTLYGSAUVFIRLL-UHFFFAOYSA-N
XLogP1.03
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile (CID 116734138) is 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile is CCC(OC)c1ncc(C#N)c(N)n1.
What is the InChIKey of 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile?
The InChIKey is WTLYGSAUVFIRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-7(14-2)9-12-5-6(4-10)8(11)13-9/h5,7H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile?
4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116734138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).