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

C13H23N3 — CID 66634316

IUPAC6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC1CCC(C2CCNC3=NCCCN32)CC1
InChIInChI=1S/C13H23N3/c1-2-5-11(6-3-1)12-7-9-15-13-14-8-4-10-16(12)13/h11-12H,1-10H2,(H,14,15)
InChIKeyDQSFUNNVYGAYBA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.99
Rot. Bonds1

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

6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 66634316) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID66634316
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESC1CCC(C2CCNC3=NCCCN32)CC1
InChIInChI=1S/C13H23N3/c1-2-5-11(6-3-1)12-7-9-15-13-14-8-4-10-16(12)13/h11-12H,1-10H2,(H,14,15)
InChIKeyDQSFUNNVYGAYBA-UHFFFAOYSA-N
XLogP1.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 66634316) is 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is C1CCC(C2CCNC3=NCCCN32)CC1.
What is the InChIKey of 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is DQSFUNNVYGAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-5-11(6-3-1)12-7-9-15-13-14-8-4-10-16(12)13/h11-12H,1-10H2,(H,14,15).
What are the key properties of 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 221.35 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 66634316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).