2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride

C7H16Cl2N2 — CID 21191562

IUPAC2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride
SMILESCC(C)C1=NCCCN1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-6(2)7-8-4-3-5-9-7;;/h6H,3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyWYFQJAKENRBQQM-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.88
Rot. Bonds1

About 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride

2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride (PubChem CID 21191562) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride
PubChem CID21191562
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride
SMILESCC(C)C1=NCCCN1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-6(2)7-8-4-3-5-9-7;;/h6H,3-5H2,1-2H3,(H,8,9);2*1H
InChIKeyWYFQJAKENRBQQM-UHFFFAOYSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride?
The IUPAC name of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride (CID 21191562) is 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride.
What is the SMILES notation for 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride?
The canonical SMILES for 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride is CC(C)C1=NCCCN1.Cl.Cl.
What is the InChIKey of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride?
The InChIKey is WYFQJAKENRBQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-6(2)7-8-4-3-5-9-7;;/h6H,3-5H2,1-2H3,(H,8,9);2*1H.
What are the key properties of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride?
2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine;dihydrochloride is sourced from PubChem (CID 21191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).