2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane

C10H14N4 — CID 16639637

IUPAC2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2c1ncccn1
InChIInChI=1S/C10H14N4/c1-13-6-9-5-8(13)7-14(9)10-11-3-2-4-12-10/h2-4,8-9H,5-7H2,1H3
InChIKeyAFBRRIJTIFUBGB-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.37
Rot. Bonds1

About 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 16639637) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID16639637
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2c1ncccn1
InChIInChI=1S/C10H14N4/c1-13-6-9-5-8(13)7-14(9)10-11-3-2-4-12-10/h2-4,8-9H,5-7H2,1H3
InChIKeyAFBRRIJTIFUBGB-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 16639637) is 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2c1ncccn1.
What is the InChIKey of 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is AFBRRIJTIFUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-13-6-9-5-8(13)7-14(9)10-11-3-2-4-12-10/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 190.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 16639637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).