6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

C15H18ClN3S — CID 63728708

IUPAC6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC1CCCc2sccc21
InChIInChI=1S/C15H18ClN3S/c1-9(2)13-14(16)17-8-18-15(13)19-11-4-3-5-12-10(11)6-7-20-12/h6-9,11H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVAVKXYGIAXGRHN-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine

6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (PubChem CID 63728708) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
PubChem CID63728708
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NC1CCCc2sccc21
InChIInChI=1S/C15H18ClN3S/c1-9(2)13-14(16)17-8-18-15(13)19-11-4-3-5-12-10(11)6-7-20-12/h6-9,11H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyVAVKXYGIAXGRHN-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,5-diamine
CID 63024131
6-N,5-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,6-diamine
CID 80824800
6-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 66327688
4-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)phthalazin-1-amine
CID 62843915
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
CID 65336937
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385590
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-thiadiazol-2-amine
CID 106260958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine (CID 63728708) is 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NC1CCCc2sccc21.
What is the InChIKey of 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
The InChIKey is VAVKXYGIAXGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-9(2)13-14(16)17-8-18-15(13)19-11-4-3-5-12-10(11)6-7-20-12/h6-9,11H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine?
6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine has a molecular weight of 307.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 63728708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).