2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

C13H22N4 — CID 62009869

IUPAC2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCCN(CC)c1ncc2c(n1)CCCC2NC
InChIInChI=1S/C13H22N4/c1-4-17(5-2)13-15-9-10-11(14-3)7-6-8-12(10)16-13/h9,11,14H,4-8H2,1-3H3
InChIKeyUPMIUEOTWHQCBP-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.92
Rot. Bonds4

About 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine (PubChem CID 62009869) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
PubChem CID62009869
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
SMILESCCN(CC)c1ncc2c(n1)CCCC2NC
InChIInChI=1S/C13H22N4/c1-4-17(5-2)13-15-9-10-11(14-3)7-6-8-12(10)16-13/h9,11,14H,4-8H2,1-3H3
InChIKeyUPMIUEOTWHQCBP-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine (CID 62009869) is 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine is CCN(CC)c1ncc2c(n1)CCCC2NC.
What is the InChIKey of 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
The InChIKey is UPMIUEOTWHQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-17(5-2)13-15-9-10-11(14-3)7-6-8-12(10)16-13/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine?
2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine is sourced from PubChem (CID 62009869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).