2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine

C8H14N4 — CID 5232770

IUPAC2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
SMILESC1=CNC(C2NCCCN2)N=C1
InChIInChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2
InChIKeyZUSKGRZPEUPYIM-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.59
Rot. Bonds1

About 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine

2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine (PubChem CID 5232770) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
PubChem CID5232770
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
SMILESC1=CNC(C2NCCCN2)N=C1
InChIInChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2
InChIKeyZUSKGRZPEUPYIM-UHFFFAOYSA-N
XLogP-0.59
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
CID 156761510
1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride
CID 166522984
1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine
CID 166522985
2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
1-piperazin-1-yl-2H-pyrimidine
CID 67727481
2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
CID 67787370
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
1-piperazin-2-yl-2H-pyrimidine
CID 140095537
1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine
CID 140971835
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The IUPAC name of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine (CID 5232770) is 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine is C1=CNC(C2NCCCN2)N=C1.
What is the InChIKey of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The InChIKey is ZUSKGRZPEUPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2.
What are the key properties of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine has a molecular weight of 166.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 5232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).