N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C19H21N5S — CID 10132660

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc(Nc2nc(CSc3ccccc3)nc3c2CCCC3)n[nH]1
InChIInChI=1S/C19H21N5S/c1-13-11-17(24-23-13)21-19-15-9-5-6-10-16(15)20-18(22-19)12-25-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyHRKMCJXBURZQSY-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.42
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 10132660) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID10132660
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1cc(Nc2nc(CSc3ccccc3)nc3c2CCCC3)n[nH]1
InChIInChI=1S/C19H21N5S/c1-13-11-17(24-23-13)21-19-15-9-5-6-10-16(15)20-18(22-19)12-25-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyHRKMCJXBURZQSY-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 10132660) is N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1cc(Nc2nc(CSc3ccccc3)nc3c2CCCC3)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HRKMCJXBURZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-13-11-17(24-23-13)21-19-15-9-5-6-10-16(15)20-18(22-19)12-25-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 351.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 10132660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).