1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride

C6H16Cl2N4OPt — CID 10093944

IUPAC1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride
SMILESCCNC(=O)NCC(N)CN.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H16N4O.2ClH.Pt/c1-2-9-6(11)10-4-5(8)3-7;;;/h5H,2-4,7-8H2,1H3,(H2,9,10,11);2*1H;/q;;;+2/p-2
InChIKeyVDKHYPGDQUOQGZ-UHFFFAOYSA-L
MW426.21 g/mol
LogP-7.40
Rot. Bonds4

About 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride

1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride (PubChem CID 10093944) has the molecular formula C6H16Cl2N4OPt and a molecular weight of 426.21 g/mol. Its IUPAC name is 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride.

Molecular Properties

Compound Name1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride
PubChem CID10093944
Molecular FormulaC6H16Cl2N4OPt
Molecular Weight426.21 g/mol
Exact Mass425.03
IUPAC Name1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride
SMILESCCNC(=O)NCC(N)CN.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H16N4O.2ClH.Pt/c1-2-9-6(11)10-4-5(8)3-7;;;/h5H,2-4,7-8H2,1H3,(H2,9,10,11);2*1H;/q;;;+2/p-2
InChIKeyVDKHYPGDQUOQGZ-UHFFFAOYSA-L
XLogP-7.40
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 5-7.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-hydroxypropyl)-3-ethylurea
CID 131223085
1-(2-amino-3-hydroxybutyl)-3-ethylurea
CID 64541484
1,3-diethylurea;ethane
CID 142885504
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
3,4-diamino-N-propylbutanamide
CID 66426337
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
2-amino-N,N'-diethylpropanediamide
CID 88901749
1,3-bis(ethylcarbamoyl)urea
CID 134915369

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride?
The IUPAC name of 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride (CID 10093944) is 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride.
What is the SMILES notation for 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride?
The canonical SMILES for 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride is CCNC(=O)NCC(N)CN.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride?
The InChIKey is VDKHYPGDQUOQGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H16N4O.2ClH.Pt/c1-2-9-6(11)10-4-5(8)3-7;;;/h5H,2-4,7-8H2,1H3,(H2,9,10,11);2*1H;/q;;;+2/p-2.
What are the key properties of 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride?
1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride has a molecular weight of 426.21 g/mol, XLogP of -7.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diaminopropyl)-3-ethylurea;platinum(2+);dichloride is sourced from PubChem (CID 10093944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).