[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine

C13H17N3OS — CID 62321741

IUPAC[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCc2cccs2)c(CN)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)13-15-7-12(11(6-14)16-13)17-8-10-4-3-5-18-10/h3-5,7,9H,6,8,14H2,1-2H3
InChIKeyHWZOUHKRVNGSQS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds5

About [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine

[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine (PubChem CID 62321741) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
PubChem CID62321741
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(OCc2cccs2)c(CN)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)13-15-7-12(11(6-14)16-13)17-8-10-4-3-5-18-10/h3-5,7,9H,6,8,14H2,1-2H3
InChIKeyHWZOUHKRVNGSQS-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62299111
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
thiophen-2-ylmethyl 5-chloro-2-propan-2-ylpyrimidine-4-carboxylate
CID 62047338
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
N-[[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151007
4-(chloromethyl)-N,2-di(propan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62087440
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine (CID 62321741) is [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine is CC(C)c1ncc(OCc2cccs2)c(CN)n1.
What is the InChIKey of [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine?
The InChIKey is HWZOUHKRVNGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)13-15-7-12(11(6-14)16-13)17-8-10-4-3-5-18-10/h3-5,7,9H,6,8,14H2,1-2H3.
What are the key properties of [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine?
[2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(thiophen-2-ylmethoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62321741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).