N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C18H21N3OS — CID 4846843

IUPACN,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3sc4c(c23)CCC(C)C4)o1
InChIInChI=1S/C18H21N3OS/c1-11-4-7-14-15(8-11)23-18-16(14)17(19-10-20-18)21(3)9-13-6-5-12(2)22-13/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyHHAIXBHLGRNDGL-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.35
Rot. Bonds3

About N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 4846843) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID4846843
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2ncnc3sc4c(c23)CCC(C)C4)o1
InChIInChI=1S/C18H21N3OS/c1-11-4-7-14-15(8-11)23-18-16(14)17(19-10-20-18)21(3)9-13-6-5-12(2)22-13/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyHHAIXBHLGRNDGL-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-2-[methyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 41012845
(7R)-7-methyl-2-[(1R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 41103213
N-(2,3-dimethylphenyl)-2-[methyl-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9195581
N-(2-ethylphenyl)-2-[methyl-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9195852
N-ethyl-2-[ethyl-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9337729
N',N'-dimethyl-N-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 9280709
(7S)-7-methyl-4-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 703878
(7R)-4-(azepan-1-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 703876
(7R)-7-methyl-4-(4-methylpiperazin-4-ium-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 7043768
(7S)-7-methyl-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2445190
(7S)-7-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9251872
4-(1,3-benzodioxol-5-yloxy)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 4811404

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 4846843) is N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is Cc1ccc(CN(C)c2ncnc3sc4c(c23)CCC(C)C4)o1.
What is the InChIKey of N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HHAIXBHLGRNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11-4-7-14-15(8-11)23-18-16(14)17(19-10-20-18)21(3)9-13-6-5-12(2)22-13/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 327.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4846843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).