2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine

C11H15N3O2 — CID 170062502

IUPAC2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine
SMILESCCCOc1cnc(C2(CN=O)CC2)nc1
InChIInChI=1S/C11H15N3O2/c1-2-5-16-9-6-12-10(13-7-9)11(3-4-11)8-14-15/h6-7H,2-5,8H2,1H3
InChIKeyAGVKFBGUKDMLKE-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine

2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine (PubChem CID 170062502) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine.

Molecular Properties

Compound Name2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine
PubChem CID170062502
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine
SMILESCCCOc1cnc(C2(CN=O)CC2)nc1
InChIInChI=1S/C11H15N3O2/c1-2-5-16-9-6-12-10(13-7-9)11(3-4-11)8-14-15/h6-7H,2-5,8H2,1H3
InChIKeyAGVKFBGUKDMLKE-UHFFFAOYSA-N
XLogP2.06
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine?
The IUPAC name of 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine (CID 170062502) is 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine.
What is the SMILES notation for 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine?
The canonical SMILES for 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine is CCCOc1cnc(C2(CN=O)CC2)nc1.
What is the InChIKey of 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine?
The InChIKey is AGVKFBGUKDMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-5-16-9-6-12-10(13-7-9)11(3-4-11)8-14-15/h6-7H,2-5,8H2,1H3.
What are the key properties of 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine?
2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine has a molecular weight of 221.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(nitrosomethyl)cyclopropyl]-5-propoxypyrimidine is sourced from PubChem (CID 170062502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).