N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine

C11H18N4 — CID 83833536

IUPACN'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
SMILESCc1nc2c(c(NCCN)n1)CCCC2
InChIInChI=1S/C11H18N4/c1-8-14-10-5-3-2-4-9(10)11(15-8)13-7-6-12/h2-7,12H2,1H3,(H,13,14,15)
InChIKeyADMMSVNECPOHGL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.03
Rot. Bonds3

About N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine

N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine (PubChem CID 83833536) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
PubChem CID83833536
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
SMILESCc1nc2c(c(NCCN)n1)CCCC2
InChIInChI=1S/C11H18N4/c1-8-14-10-5-3-2-4-9(10)11(15-8)13-7-6-12/h2-7,12H2,1H3,(H,13,14,15)
InChIKeyADMMSVNECPOHGL-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461264
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472475
N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 136522247

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine (CID 83833536) is N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine is Cc1nc2c(c(NCCN)n1)CCCC2.
What is the InChIKey of N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine?
The InChIKey is ADMMSVNECPOHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-14-10-5-3-2-4-9(10)11(15-8)13-7-6-12/h2-7,12H2,1H3,(H,13,14,15).
What are the key properties of N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine?
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83833536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).