N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine

C14H24N4S — CID 110915302

IUPACN,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(CC)C(CNC1=NCCCN1)c1ccsc1
InChIInChI=1S/C14H24N4S/c1-3-18(4-2)13(12-6-9-19-11-12)10-17-14-15-7-5-8-16-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H2,15,16,17)
InChIKeyVBSYFMARBVDMKA-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.07
Rot. Bonds6

About N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine

N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 110915302) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
PubChem CID110915302
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(CC)C(CNC1=NCCCN1)c1ccsc1
InChIInChI=1S/C14H24N4S/c1-3-18(4-2)13(12-6-9-19-11-12)10-17-14-15-7-5-8-16-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H2,15,16,17)
InChIKeyVBSYFMARBVDMKA-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine (CID 110915302) is N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine is CCN(CC)C(CNC1=NCCCN1)c1ccsc1.
What is the InChIKey of N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is VBSYFMARBVDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-18(4-2)13(12-6-9-19-11-12)10-17-14-15-7-5-8-16-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H2,15,16,17).
What are the key properties of N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine?
N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 110915302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).