2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile

C9H9N3O — CID 107545734

IUPAC2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CC2)n1
InChIInChI=1S/C9H9N3O/c10-5-8-3-4-11-9(12-8)13-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyVCYDMEKFECLYON-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.14
Rot. Bonds3

About 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile

2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile (PubChem CID 107545734) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
PubChem CID107545734
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CC2)n1
InChIInChI=1S/C9H9N3O/c10-5-8-3-4-11-9(12-8)13-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyVCYDMEKFECLYON-UHFFFAOYSA-N
XLogP1.14
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile (CID 107545734) is 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile is N#Cc1ccnc(OCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile?
The InChIKey is VCYDMEKFECLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-8-3-4-11-9(12-8)13-6-7-1-2-7/h3-4,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile?
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).