3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane

C10H14N4 — CID 67086867

IUPAC3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1ccnc(N2CC3CNC3C2)n1
InChIInChI=1S/C10H14N4/c1-7-2-3-11-10(13-7)14-5-8-4-12-9(8)6-14/h2-3,8-9,12H,4-6H2,1H3
InChIKeyWSAWTEYIENWKIX-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.19
Rot. Bonds1

About 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane

3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 67086867) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID67086867
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCc1ccnc(N2CC3CNC3C2)n1
InChIInChI=1S/C10H14N4/c1-7-2-3-11-10(13-7)14-5-8-4-12-9(8)6-14/h2-3,8-9,12H,4-6H2,1H3
InChIKeyWSAWTEYIENWKIX-UHFFFAOYSA-N
XLogP0.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrimidin-2-yl)azetidin-3-ol
CID 63283961
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
4-methyl-2-(3-methylpiperazin-1-yl)pyrimidine;hydrochloride
CID 71639412
4-methyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 131025799
N-methyl-1-[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methanamine
CID 130921522
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
2-[(3S)-3-fluoropiperidin-1-yl]-4-methylpyrimidine
CID 129349446

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane (CID 67086867) is 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane is Cc1ccnc(N2CC3CNC3C2)n1.
What is the InChIKey of 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is WSAWTEYIENWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-7-2-3-11-10(13-7)14-5-8-4-12-9(8)6-14/h2-3,8-9,12H,4-6H2,1H3.
What are the key properties of 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane?
3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 190.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrimidin-2-yl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 67086867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).