bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride

C14H26Cl2Cu2N6 — CID 139181305

IUPACbis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
SMILESC1CN=C2NCCCN2C1.C1CN=C2NCCCN2C1.[Cl-].[Cl-].[Cu+].[Cu+]
InChIInChI=1S/2C7H13N3.2ClH.2Cu/c2*1-3-8-7-9-4-2-6-10(7)5-1;;;;/h2*1-6H2,(H,8,9);2*1H;;/q;;;;2*+1/p-2
InChIKeyVYXMBMKIKKPMAF-UHFFFAOYSA-L
MW476.40 g/mol
LogP-5.91
Rot. Bonds

About bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride

bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride (PubChem CID 139181305) has the molecular formula C14H26Cl2Cu2N6 and a molecular weight of 476.40 g/mol. Its IUPAC name is bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride.

Molecular Properties

Compound Namebis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
PubChem CID139181305
Molecular FormulaC14H26Cl2Cu2N6
Molecular Weight476.40 g/mol
Exact Mass474.02
IUPAC Namebis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride
SMILESC1CN=C2NCCCN2C1.C1CN=C2NCCCN2C1.[Cl-].[Cl-].[Cu+].[Cu+]
InChIInChI=1S/2C7H13N3.2ClH.2Cu/c2*1-3-8-7-9-4-2-6-10(7)5-1;;;;/h2*1-6H2,(H,8,9);2*1H;;/q;;;;2*+1/p-2
InChIKeyVYXMBMKIKKPMAF-UHFFFAOYSA-L
XLogP-5.91
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 5-5.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride with MolForge

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Related Compounds

2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
CID 58603025
7-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4-thiazepane
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3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-c]pyrimidine
CID 19902665
7-(4,5-dihydro-1H-imidazol-2-yl)-2,7-diazaspiro[3.5]nonane
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2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
CID 103281677
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 157342676
1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
CID 22335016
3-(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-yl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 176528407
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)methanone
CID 91902391
1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
CID 58865278
N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
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acetic acid;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride?
The IUPAC name of bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride (CID 139181305) is bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride.
What is the SMILES notation for bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride?
The canonical SMILES for bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride is C1CN=C2NCCCN2C1.C1CN=C2NCCCN2C1.[Cl-].[Cl-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride?
The InChIKey is VYXMBMKIKKPMAF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H13N3.2ClH.2Cu/c2*1-3-8-7-9-4-2-6-10(7)5-1;;;;/h2*1-6H2,(H,8,9);2*1H;;/q;;;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride?
bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride has a molecular weight of 476.40 g/mol, XLogP of -5.91, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine);dichloride is sourced from PubChem (CID 139181305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).