[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

C14H19N3OS — CID 62086705

IUPAC[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2ccsc2)c(CO)n1
InChIInChI=1S/C14H19N3OS/c1-10(2)14-15-6-13(12(8-18)16-14)17(3)7-11-4-5-19-9-11/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyITAWTNSLMKQSGH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.79
Rot. Bonds5

About [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62086705) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62086705
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2ccsc2)c(CO)n1
InChIInChI=1S/C14H19N3OS/c1-10(2)14-15-6-13(12(8-18)16-14)17(3)7-11-4-5-19-9-11/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeyITAWTNSLMKQSGH-UHFFFAOYSA-N
XLogP2.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62086705) is [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(N(C)Cc2ccsc2)c(CO)n1.
What is the InChIKey of [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is ITAWTNSLMKQSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)14-15-6-13(12(8-18)16-14)17(3)7-11-4-5-19-9-11/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl(thiophen-3-ylmethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62086705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).