4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C20H25FN4S — CID 142737276

IUPAC4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFc1ccc(Sc2nc(NCC3CCNCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C20H25FN4S/c21-15-5-7-16(8-6-15)26-19-17-3-1-2-4-18(17)24-20(25-19)23-13-14-9-11-22-12-10-14/h5-8,14,22H,1-4,9-13H2,(H,23,24,25)
InChIKeyPRFVKXYDYZJESH-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 142737276) has the molecular formula C20H25FN4S and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID142737276
Molecular FormulaC20H25FN4S
Molecular Weight372.51 g/mol
Exact Mass372.18
IUPAC Name4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFc1ccc(Sc2nc(NCC3CCNCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C20H25FN4S/c21-15-5-7-16(8-6-15)26-19-17-3-1-2-4-18(17)24-20(25-19)23-13-14-9-11-22-12-10-14/h5-8,14,22H,1-4,9-13H2,(H,23,24,25)
InChIKeyPRFVKXYDYZJESH-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Related Compounds

4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82461111
2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101131
2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 139665129
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100947
2-methylsulfanyl-4-phenylsulfanyl-5,6,7,8-tetrahydroquinazoline
CID 1479775
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
4-methyl-6-(4-methylphenyl)-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 82191722
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
methyl 2-[4-[[4-(cyclohexylmethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetate
CID 167433473
N-(cyclopropylmethyl)-2-methylsulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102330

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 142737276) is 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Fc1ccc(Sc2nc(NCC3CCNCC3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is PRFVKXYDYZJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4S/c21-15-5-7-16(8-6-15)26-19-17-3-1-2-4-18(17)24-20(25-19)23-13-14-9-11-22-12-10-14/h5-8,14,22H,1-4,9-13H2,(H,23,24,25).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 372.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 142737276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).