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

C14H21N3S — CID 133461640

IUPAC2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC3CCCSC3)n1)CCCC2
InChIInChI=1S/C14H21N3S/c1-10-15-13-7-3-2-6-12(13)14(16-10)17-11-5-4-8-18-9-11/h11H,2-9H2,1H3,(H,15,16,17)
InChIKeyRVLYZKBYPHXJKY-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.97
Rot. Bonds2

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

2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133461640) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133461640
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC3CCCSC3)n1)CCCC2
InChIInChI=1S/C14H21N3S/c1-10-15-13-7-3-2-6-12(13)14(16-10)17-11-5-4-8-18-9-11/h11H,2-9H2,1H3,(H,15,16,17)
InChIKeyRVLYZKBYPHXJKY-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133461640) is 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NC3CCCSC3)n1)CCCC2.
What is the InChIKey of 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is RVLYZKBYPHXJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-15-13-7-3-2-6-12(13)14(16-10)17-11-5-4-8-18-9-11/h11H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133461640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).