2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H23N3O2S — CID 133461644

IUPAC2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC(C)(C)S(C)(=O)=O)n1)CCCC2
InChIInChI=1S/C14H23N3O2S/c1-10-16-12-8-6-5-7-11(12)13(17-10)15-9-14(2,3)20(4,18)19/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyIGAXMOGYBLILCC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133461644) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133461644
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCC(C)(C)S(C)(=O)=O)n1)CCCC2
InChIInChI=1S/C14H23N3O2S/c1-10-16-12-8-6-5-7-11(12)13(17-10)15-9-14(2,3)20(4,18)19/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyIGAXMOGYBLILCC-UHFFFAOYSA-N
XLogP1.90
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460830
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
3,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazin-2-amine
CID 79562408
2-methyl-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 83856398
3,4-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
CID 133472543
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133461644) is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCC(C)(C)S(C)(=O)=O)n1)CCCC2.
What is the InChIKey of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is IGAXMOGYBLILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-16-12-8-6-5-7-11(12)13(17-10)15-9-14(2,3)20(4,18)19/h5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 297.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133461644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).