3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine

C11H20N4 — CID 170255113

IUPAC3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
SMILESNC1CC(C2CCNC3=NCCCN32)C1
InChIInChI=1S/C11H20N4/c12-9-6-8(7-9)10-2-4-14-11-13-3-1-5-15(10)11/h8-10H,1-7,12H2,(H,13,14)
InChIKeyGXCWHRLOYAQYKC-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.15
Rot. Bonds1

About 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine

3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine (PubChem CID 170255113) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
PubChem CID170255113
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
SMILESNC1CC(C2CCNC3=NCCCN32)C1
InChIInChI=1S/C11H20N4/c12-9-6-8(7-9)10-2-4-14-11-13-3-1-5-15(10)11/h8-10H,1-7,12H2,(H,13,14)
InChIKeyGXCWHRLOYAQYKC-UHFFFAOYSA-N
XLogP0.15
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine (CID 170255113) is 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine is NC1CC(C2CCNC3=NCCCN32)C1.
What is the InChIKey of 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The InChIKey is GXCWHRLOYAQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-9-6-8(7-9)10-2-4-14-11-13-3-1-5-15(10)11/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine is sourced from PubChem (CID 170255113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).