(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

C14H17N3S — CID 81424289

IUPAC(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCc1nc(-c2cccs2)nc2c1CC(CN)CC2
InChIInChI=1S/C14H17N3S/c1-9-11-7-10(8-15)4-5-12(11)17-14(16-9)13-3-2-6-18-13/h2-3,6,10H,4-5,7-8,15H2,1H3
InChIKeyUGHUIKYHWFMYOX-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.58
Rot. Bonds2

About (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (PubChem CID 81424289) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
PubChem CID81424289
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCc1nc(-c2cccs2)nc2c1CC(CN)CC2
InChIInChI=1S/C14H17N3S/c1-9-11-7-10(8-15)4-5-12(11)17-14(16-9)13-3-2-6-18-13/h2-3,6,10H,4-5,7-8,15H2,1H3
InChIKeyUGHUIKYHWFMYOX-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The IUPAC name of (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (CID 81424289) is (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.
What is the SMILES notation for (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The canonical SMILES for (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is Cc1nc(-c2cccs2)nc2c1CC(CN)CC2.
What is the InChIKey of (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The InChIKey is UGHUIKYHWFMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-11-7-10(8-15)4-5-12(11)17-14(16-9)13-3-2-6-18-13/h2-3,6,10H,4-5,7-8,15H2,1H3.
What are the key properties of (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
(4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is sourced from PubChem (CID 81424289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).