2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H25N3S2 — CID 115388521

IUPAC2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2SCCSC2C)nc2c1CCCC2
InChIInChI=1S/C16H25N3S2/c1-3-8-17-15-12-6-4-5-7-13(12)18-16(19-15)14-11(2)20-9-10-21-14/h11,14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyCTNBYILCHOIDHR-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.09
Rot. Bonds4

About 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 115388521) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID115388521
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC Name2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(C2SCCSC2C)nc2c1CCCC2
InChIInChI=1S/C16H25N3S2/c1-3-8-17-15-12-6-4-5-7-13(12)18-16(19-15)14-11(2)20-9-10-21-14/h11,14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyCTNBYILCHOIDHR-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512
2-cycloheptyl-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65399990
2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82840279
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
2-(oxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65328554
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
2-(1,1-dioxothiolan-3-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115337222
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728949
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63481187

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 115388521) is 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(C2SCCSC2C)nc2c1CCCC2.
What is the InChIKey of 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is CTNBYILCHOIDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-3-8-17-15-12-6-4-5-7-13(12)18-16(19-15)14-11(2)20-9-10-21-14/h11,14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 323.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 115388521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).