4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine

C14H14ClN5S — CID 164623984

IUPAC4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)s1
InChIInChI=1S/C14H14ClN5S/c1-8-3-4-10(21-8)5-9-7-20(2)19-13(9)11-6-12(15)18-14(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18)
InChIKeyNXJZMDIENBZCLJ-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164623984) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164623984
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC Name4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1ccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)s1
InChIInChI=1S/C14H14ClN5S/c1-8-3-4-10(21-8)5-9-7-20(2)19-13(9)11-6-12(15)18-14(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18)
InChIKeyNXJZMDIENBZCLJ-UHFFFAOYSA-N
XLogP3.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine (CID 164623984) is 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine is Cc1ccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)s1.
What is the InChIKey of 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is NXJZMDIENBZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5S/c1-8-3-4-10(21-8)5-9-7-20(2)19-13(9)11-6-12(15)18-14(16)17-11/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 319.82 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164623984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).