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

C10H17N3 — CID 141271071

IUPAC6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC=CC1CCNC2=NCCCN21
InChIInChI=1S/C10H17N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h2,4,9H,3,5-8H2,1H3,(H,11,12)
InChIKeyBCJDRPNAPKITGK-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.99
Rot. Bonds1

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

6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 141271071) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID141271071
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCC=CC1CCNC2=NCCCN21
InChIInChI=1S/C10H17N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h2,4,9H,3,5-8H2,1H3,(H,11,12)
InChIKeyBCJDRPNAPKITGK-UHFFFAOYSA-N
XLogP0.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine with MolForge

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Related Compounds

2,3,4,4a,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
CID 58724385
6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 90453784
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
6-ethenyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141271072
3-[(1,4-Dimethylpiperazin-2-yl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499144
1-Cyclopent-3-en-1-yl-3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylguanidine
CID 109768829
1-Cyclopent-3-en-1-yl-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 109771407
1-Cyclopent-3-en-1-yl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethylguanidine
CID 109772247
1-Ethyl-2-pent-3-enyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111791527
2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791612
2-methyl-1-[(E)-pent-3-enyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111791613
1-(1-cyclopropylpiperidin-4-yl)-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 112179021

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 141271071) is 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CC=CC1CCNC2=NCCCN21.
What is the InChIKey of 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is BCJDRPNAPKITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-4-9-5-7-12-10-11-6-3-8-13(9)10/h2,4,9H,3,5-8H2,1H3,(H,11,12).
What are the key properties of 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-enyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).