2-(diazinan-1-ylmethyl)pyrimidine

C9H14N4 — CID 131003135

IUPAC2-(diazinan-1-ylmethyl)pyrimidine
SMILESc1cnc(CN2CCCCN2)nc1
InChIInChI=1S/C9H14N4/c1-2-7-13(12-6-1)8-9-10-4-3-5-11-9/h3-5,12H,1-2,6-8H2
InChIKeyOBEZSIXRGRLMIG-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.58
Rot. Bonds2

About 2-(diazinan-1-ylmethyl)pyrimidine

2-(diazinan-1-ylmethyl)pyrimidine (PubChem CID 131003135) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(diazinan-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(diazinan-1-ylmethyl)pyrimidine
PubChem CID131003135
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(diazinan-1-ylmethyl)pyrimidine
SMILESc1cnc(CN2CCCCN2)nc1
InChIInChI=1S/C9H14N4/c1-2-7-13(12-6-1)8-9-10-4-3-5-11-9/h3-5,12H,1-2,6-8H2
InChIKeyOBEZSIXRGRLMIG-UHFFFAOYSA-N
XLogP0.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diazinan-1-ylmethyl)pyrimidine?
The IUPAC name of 2-(diazinan-1-ylmethyl)pyrimidine (CID 131003135) is 2-(diazinan-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-(diazinan-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-(diazinan-1-ylmethyl)pyrimidine is c1cnc(CN2CCCCN2)nc1.
What is the InChIKey of 2-(diazinan-1-ylmethyl)pyrimidine?
The InChIKey is OBEZSIXRGRLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-7-13(12-6-1)8-9-10-4-3-5-11-9/h3-5,12H,1-2,6-8H2.
What are the key properties of 2-(diazinan-1-ylmethyl)pyrimidine?
2-(diazinan-1-ylmethyl)pyrimidine has a molecular weight of 178.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazinan-1-ylmethyl)pyrimidine is sourced from PubChem (CID 131003135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).