6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C11H21N3 — CID 66633673

IUPAC6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCCC1CCNC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-2-3-5-10-6-8-13-11-12-7-4-9-14(10)11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyNYVBDLBAQKTIKW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds3

About 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 66633673) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID66633673
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCCC1CCNC2=NCCCN21
InChIInChI=1S/C11H21N3/c1-2-3-5-10-6-8-13-11-12-7-4-9-14(10)11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyNYVBDLBAQKTIKW-UHFFFAOYSA-N
XLogP1.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 66633673) is 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CCCCC1CCNC2=NCCCN21.
What is the InChIKey of 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is NYVBDLBAQKTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-5-10-6-8-13-11-12-7-4-9-14(10)11/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 66633673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).