[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol

C14H18ClN3OS — CID 62087606

IUPAC[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2ccc(Cl)s2)c(CO)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)14-16-6-12(11(8-19)17-14)18(3)7-10-4-5-13(15)20-10/h4-6,9,19H,7-8H2,1-3H3
InChIKeyQRHZQIWRAPLJCI-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.44
Rot. Bonds5

About [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62087606) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62087606
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2ccc(Cl)s2)c(CO)n1
InChIInChI=1S/C14H18ClN3OS/c1-9(2)14-16-6-12(11(8-19)17-14)18(3)7-10-4-5-13(15)20-10/h4-6,9,19H,7-8H2,1-3H3
InChIKeyQRHZQIWRAPLJCI-UHFFFAOYSA-N
XLogP3.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62087606) is [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(N(C)Cc2ccc(Cl)s2)c(CO)n1.
What is the InChIKey of [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is QRHZQIWRAPLJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-9(2)14-16-6-12(11(8-19)17-14)18(3)7-10-4-5-13(15)20-10/h4-6,9,19H,7-8H2,1-3H3.
What are the key properties of [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 311.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62087606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).