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

C11H20N4 — CID 166675936

IUPAC2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
SMILESNC1CCC1C1CCNC2=NCCCN21
InChIInChI=1S/C11H20N4/c12-9-3-2-8(9)10-4-6-14-11-13-5-1-7-15(10)11/h8-10H,1-7,12H2,(H,13,14)
InChIKeyMHVPYORLFWCKPK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.15
Rot. Bonds1

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

2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine (PubChem CID 166675936) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
PubChem CID166675936
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
SMILESNC1CCC1C1CCNC2=NCCCN21
InChIInChI=1S/C11H20N4/c12-9-3-2-8(9)10-4-6-14-11-13-5-1-7-15(10)11/h8-10H,1-7,12H2,(H,13,14)
InChIKeyMHVPYORLFWCKPK-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

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

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Related Compounds

2-(Cyclohexylmethyl)-1-(3-piperidin-1-ylpropyl)guanidine
CID 11948032
6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 66634316
(+/-)-6-Piperidin-4-yl-1,4,5,6-tetrahydro-pyrimidin-2-ylamine
CID 68858046
8-methyl-2-propan-2-yl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 123820104
2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine
CID 129252641
6-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141316067
6-Ethyl-6-hexyl-2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidine
CID 141316681
6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141373624
4-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1H-1,3,5-triazine-2,4,6-triamine
CID 153708570
3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine
CID 170255113
1-Cyclohexyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 62369731
1-methyl-5-(5-methylheptyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine-1,5-diium
CID 89601357

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine (CID 166675936) is 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine is NC1CCC1C1CCNC2=NCCCN21.
What is the InChIKey of 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
The InChIKey is MHVPYORLFWCKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-9-3-2-8(9)10-4-6-14-11-13-5-1-7-15(10)11/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine?
2-(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 2-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-6-yl)cyclobutan-1-amine is sourced from PubChem (CID 166675936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).