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

C7H14N2 — CID 12868377

IUPAC2-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)C1=NCCCN1
InChIInChI=1S/C7H14N2/c1-6(2)7-8-4-3-5-9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyKZCLFWYVLDNEMU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.03
Rot. Bonds1

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

2-propan-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 12868377) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID12868377
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)C1=NCCCN1
InChIInChI=1S/C7H14N2/c1-6(2)7-8-4-3-5-9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyKZCLFWYVLDNEMU-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.03
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?
The IUPAC name of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine (CID 12868377) is 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine is CC(C)C1=NCCCN1.
What is the InChIKey of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is KZCLFWYVLDNEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-8-4-3-5-9-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
2-propan-2-yl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 126.20 g/mol, XLogP of 1.03, 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 is sourced from PubChem (CID 12868377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).