2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C16H25N3OS — CID 133461264

IUPAC2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSC1(CNc2nc(C)nc3c2CCCC3)CCOCC1
InChIInChI=1S/C16H25N3OS/c1-12-18-14-6-4-3-5-13(14)15(19-12)17-11-16(21-2)7-9-20-10-8-16/h3-11H2,1-2H3,(H,17,18,19)
InChIKeyMDFZBYISGFKUMM-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133461264) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133461264
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSC1(CNc2nc(C)nc3c2CCCC3)CCOCC1
InChIInChI=1S/C16H25N3OS/c1-12-18-14-6-4-3-5-13(14)15(19-12)17-11-16(21-2)7-9-20-10-8-16/h3-11H2,1-2H3,(H,17,18,19)
InChIKeyMDFZBYISGFKUMM-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
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
4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132271
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472801
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133461264) is 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is CSC1(CNc2nc(C)nc3c2CCCC3)CCOCC1.
What is the InChIKey of 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is MDFZBYISGFKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12-18-14-6-4-3-5-13(14)15(19-12)17-11-16(21-2)7-9-20-10-8-16/h3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 307.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133461264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).